Sign In Join Free

Products Information

Fentin acetate
Fentin acetate ID: API-42772
CAS:900-95-8
Supplier:APIchem

Get a quote


SMILES:[Sn](OC(=O)C)(c1ccccc1)(c1ccccc1)c1ccccc1	ChemMol.com
FORMULA: C20H18O2Sn
MASS: 409.0567
EXACT MASS: 410.0328738
INTERATOMIC DISTANCES

             Sn   1      O   2      O   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Sn   1    0.0000 
   O   2    1.0000     0.0000 
   O   3    2.4953     1.7320     0.0000 
   C   4    1.0000     1.4142     3.1433     0.0000 
   C   5    1.0000     1.4142     2.1384     2.0000     0.0000 
   C   6    1.0000     2.0000     3.3842     1.4142     1.4142     0.0000 
   C   7    1.7320     2.6457     4.2266     1.5060     2.3942     1.0000 
   C   8    1.7321     2.3942     2.9844     2.6458     1.0001     1.5060 
   C   9    1.7320     1.5060     3.0898     1.0000     2.6457     2.3942 
   C  10    1.7320     2.6457     3.6426     2.3942     1.5060     1.0000 
   C  11    1.7320     1.5060     1.2593     2.6457     1.0000     2.3942 
   C  12    1.7321     2.3942     4.1070     1.0001     2.6458     1.5060 
   C  13    2.6457     2.5036     4.0249     1.7320     3.6055     3.1196 
   C  14    2.6458     3.1197     3.2021     3.6056     1.7321     2.5036 
   C  15    2.6457     3.6055     5.1079     2.5036     3.1196     1.7320 
   C  16    2.6458     3.1197     4.8499     1.7321     3.6056     2.5036 
   C  17    2.6457     2.5036     1.7124     3.6055     1.7320     3.1196 
   C  18    2.6457     3.6055     4.6363     3.1196     2.5036     1.7320 
   C  19    1.9696     1.0000     1.0000     2.3587     2.0483     2.9595 
   C  20    3.0000     3.1623     4.8153     2.0000     4.0000     3.1623 
   C  21    3.0000     3.1623     2.6955     4.0000     2.0000     3.1623 
   C  22    3.0000     4.0000     5.2826     3.1623     3.1623     2.0000 
   C  23    2.7224     1.7320     1.7321     2.7946     3.0021     3.7179 
   H  24    1.8397     2.6009     4.2853     1.2564     2.6815     1.4158 
   H  25    1.8397     2.6815     3.5190     2.6009     1.4158     1.2564 
   H  26    1.8396     1.2564     2.6151     1.4157     2.6008     2.6814 
   H  27    1.8397     2.6009     3.3042     2.6815     1.2564     1.4158 
   H  28    1.8396     1.2564     0.7235     2.6008     1.4157     2.6814 
   H  29    1.8397     2.6815     4.3242     1.4158     2.6009     1.2564 
   H  30    3.1407     2.8387     4.1974     2.2900     4.0601     3.6973 
   H  31    3.1408     3.6974     3.8163     4.0601     2.2901     2.8388 
   H  32    3.1408     4.0601     5.6294     2.8388     3.6974     2.2901 
   H  33    3.1408     3.6974     5.4293     2.2901     4.0601     2.8388 
   H  34    3.1407     2.8387     1.6446     4.0601     2.2900     3.6973 
   H  35    3.1408     4.0601     4.9239     3.6974     2.8388     2.2901 
   H  36    3.6200     3.7556     5.3793     2.6200     4.6200     3.7556 
   H  37    3.6200     3.7556     3.1185     4.6200     2.6200     3.7556 
   H  38    3.6200     4.6200     5.8848     3.7556     3.7556     2.6200 
   H  39    3.1091     2.1114     1.5200     3.3189     3.2122     4.1079 
   H  40    3.2567     2.2901     2.2901     3.1949     3.6062     4.2388 
   H  41    2.4341     1.5200     2.1114     2.3181     2.9114     3.3970 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.4494     0.0000 
   C   9    2.4495     3.4641     0.0000 
   C  10    1.7320     0.8965     3.3460     0.0000 
   C  11    3.3460     1.7321     3.0000     2.4495     0.0000 
   C  12    0.8965     3.0000     1.7321     2.4494     3.4641     0.0000 
   C  13    2.8754     4.3589     1.0000     4.1144     4.0000     2.0000 
   C  14    3.4252     1.0000     4.3589     1.7527     2.0000     4.0000 
   C  15    1.0000     2.8753     3.4252     2.0000     4.1144     1.7526 
   C  16    1.7527     4.0000     2.0000     3.4252     4.3589     1.0000 
   C  17    4.1144     2.0000     4.0000     2.8754     1.0000     4.3589 
   C  18    2.0000     1.7526     4.1144     1.0000     3.4252     2.8753 
   C  19    3.6457     3.0354     2.1321     3.4794     1.5792     3.3564 
   C  20    2.6084     4.5826     1.7320     4.1468     4.5826     1.7321 
   C  21    4.1468     1.7321     4.5826     2.6084     1.7320     4.5826 
   C  22    1.7320     2.6084     4.1468     1.7320     4.1468     2.6084 
   C  23    4.2435     4.0001     2.1960     4.3646     2.5744     3.7677 
   H  24    0.6201     2.9210     2.0583     2.2901     3.5573     0.3381 
   H  25    2.0583     0.6200     3.5192     0.3382     2.2901     2.7431 
   H  26    2.9209     3.5192     0.6200     3.5572     2.7431     2.2901 
   H  27    2.2901     0.3381     3.5573     0.6201     2.0583     2.9210 
   H  28    3.5572     2.2901     2.7431     2.9209     0.6200     3.5192 
   H  29    0.3382     2.7431     2.2901     2.0583     3.5192     0.6200 
   H  30    3.4937     4.8708     1.4158     4.6840     4.3433     2.6200 
   H  31    3.6773     1.4158     4.8708     1.9464     2.6200     4.3433 
   H  32    1.4158     3.4937     3.6773     2.6200     4.6841     1.9463 
   H  33    1.9464     4.3433     2.6200     3.6773     4.8708     1.4158 
   H  34    4.6840     2.6200     4.3433     3.4937     1.4158     4.8708 
   H  35    2.6200     1.9463     4.6841     1.4158     3.6773     3.4937 
   H  36    3.1360     5.1927     2.2901     4.7301     5.1927     2.2901 
   H  37    4.7301     2.2901     5.1927     3.1360     2.2901     5.1927 
   H  38    2.2901     3.1359     4.7301     2.2901     4.7301     3.1359 
   H  39    4.7202     4.1858     2.7951     4.6559     2.6014     4.3089 
   H  40    4.6837     4.6058     2.4493     4.9355     3.1929     4.1253 
   H  41    3.8083     3.9050     1.6130     4.1461     2.6937     3.2549 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    5.2915     0.0000 
   C  15    3.7416     3.7416     0.0000 
   C  16    1.7321     5.0000     2.3108     0.0000 
   C  17    5.0000     1.7321     4.7602     5.2915     0.0000 
   C  18    4.7602     2.3108     1.7320     3.7416     3.7416     0.0000 
   C  19    3.0381     3.5397     4.6011     3.9937     2.4104     4.4705 
   C  20    1.0000     5.5678     3.2869     1.0001     5.5678     4.6039 
   C  21    5.5678     1.0001     4.6039     5.5678     1.0000     3.2869 
   C  22    4.6039     3.2869     1.0000     3.2869     4.6039     1.0000 
   C  23    2.8672     4.5390     5.2363     4.1945     3.3510     5.3349 
   H  24    2.3304     3.9164     1.4158     1.1438     4.4114     2.6200 
   H  25    4.3318     1.4158     2.3304     3.7289     2.6200     1.1438 
   H  26    1.4158     4.3318     3.9163     2.6200     3.7289     4.4113 
   H  27    4.4114     1.1438     2.6200     3.9164     2.3304     1.4158 
   H  28    3.7289     2.6200     4.4113     4.3318     1.4158     3.9163 
   H  29    2.6200     3.7289     1.1438     1.4158     4.3318     2.3304 
   H  30    0.6200     5.7745     4.3602     2.2901     5.3371     5.3615 
   H  31    5.7745     0.6200     3.8362     5.3371     2.2901     2.2322 
   H  32    3.8362     4.3603     0.6201     2.2321     5.3616     2.2901 
   H  33    2.2901     5.3371     2.2322     0.6200     5.7745     3.8362 
   H  34    5.3371     2.2901     5.3615     5.7745     0.6200     4.3602 
   H  35    5.3616     2.2321     2.2901     4.3603     3.8362     0.6201 
   H  36    1.4158     6.1810     3.7195     1.4158     6.1810     5.1356 
   H  37    6.1810     1.4158     5.1356     6.1810     1.4158     3.7195 
   H  38    5.1356     3.7194     1.4158     3.7194     5.1356     1.4158 
   H  39    3.4872     4.6014     5.6999     4.7869     3.2278     5.6467 
   H  40    2.9326     5.1587     5.6831     4.4293     3.9488     5.8924 
   H  41    2.2473     4.5607     4.8080     3.6115     3.5787     5.0798 

              C  19      C  20      C  21      C  22      C  23      H  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    3.8641     0.0000 
   C  21    3.2905     6.0000     0.0000 
   C  22    4.9515     4.2426     4.2426     0.0000 
   C  23    1.0000     3.8218     4.2680     5.7136     0.0000 
   H  24    3.5833     1.9916     4.5610     2.2901     4.0486     0.0000 
   H  25    3.4486     4.4187     2.2901     1.9916     4.3708     2.6017 
   H  26    1.6233     2.2900     4.4186     4.5609     1.5773     2.6016 
   H  27    3.3047     4.5610     1.9916     2.2901     4.2520     2.8060 
   H  28    1.0036     4.4186     2.2900     4.5609     1.9798     3.6670 
   H  29    3.6770     2.2901     4.4187     1.9916     4.2038     0.3012 
   H  30    3.1974     1.4157     5.9770     5.2232     2.8273     2.9500 
   H  31    4.1551     5.9770     1.4158     3.2321     5.1535     4.2184 
   H  32    5.0601     3.2321     5.2233     1.4158     5.6247     1.6200 
   H  33    4.5944     1.4158     5.9770     3.2321     4.8143     1.4230 
   H  34    2.5257     5.9770     1.4157     5.2232     3.3726     4.9470 
   H  35    4.8668     5.2233     3.2321     1.4158     5.7729     3.2401 
   H  36    4.4113     0.6200     6.6200     4.7015     4.2823     2.5162 
   H  37    3.8089     6.6200     0.6200     4.7015     4.7638     5.1620 
   H  38    5.5702     4.7015     4.7015     0.6200     6.3328     2.8059 
   H  39    1.1765     4.4398     4.1978     6.1067     0.6200     4.5747 
   H  40    1.6200     3.9256     4.8787     6.2201     0.6200     4.4270 
   H  41    1.1766     3.2048     4.4248     5.3636     0.6199     3.5530 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    3.6793     0.0000 
   H  27    0.3012     3.6670     0.0000 
   H  28    2.8059     2.3800     2.6016     0.0000 
   H  29    2.3800     2.8059     2.6017     3.6793     0.0000 
   H  30    4.8860     1.6200     4.9470     4.0000     3.2400     0.0000 
   H  31    1.6200     4.8860     1.4230     3.2400     4.0000     6.2815 
   H  32    2.9501     4.2183     3.2401     4.9469     1.4230     4.4416 
   H  33    4.0000     3.2400     4.2184     4.8860     1.6200     2.8059 
   H  34    3.2400     4.0000     2.9500     1.6200     4.8860     5.6200 
   H  35    1.4230     4.9469     1.6200     4.2183     2.9501     5.9580 
   H  36    5.0104     2.8059     5.1620     5.0104     2.8059     1.6199 
   H  37    2.8059     5.0104     2.5162     2.8059     5.0104     6.5813 
   H  38    2.5162     5.1619     2.8059     5.1619     2.5162     5.7555 
   H  39    4.6202     2.1807     4.4666     1.9815     4.7091     3.4351 
   H  40    4.9578     1.8443     4.8500     2.5942     4.6099     2.7596 
   H  41    4.1988     0.9947     4.1203     2.1637     3.7333     2.2262 

              H  31      H  32      H  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   H  31    0.0000 
   H  32    4.4417     0.0000 
   H  33    5.6200     1.9898     0.0000 
   H  34    2.8059     5.9580     6.2815     0.0000 
   H  35    1.9898     2.8060     4.4417     4.4416     0.0000 
   H  36    6.5813     3.5793     1.6200     6.5813     5.7556     0.0000 
   H  37    1.6200     5.7556     6.5813     1.6199     3.5793     7.2400 
   H  38    3.5793     1.6200     3.5793     5.7555     1.6200     5.1195 
   H  39    5.2213     6.1209     5.4056     3.1372     6.0405     4.9022 
   H  40    5.7728     6.0319     5.0463     3.9339     6.3489     4.3183 
   H  41    5.1597     5.1555     4.2313     3.6980     5.5617     3.6624 

              H  37      H  38      H  39      H  40      H  41
              -------------------------------------------------------
   H  37    0.0000 
   H  38    5.1195     0.0000 
   H  39    4.6378     6.7265     0.0000 
   H  40    5.3641     6.8366     0.8768     0.0000 
   H  41    4.9644     5.9777     1.2400     0.8768     0.0000 



ATOMIC CHARGES
  Sn   1    0.0000000000
   O   2    0.0000000000
   O   3    0.0000000000
   C   4    0.0000000000
   C   5    0.0000000000
   C   6    0.0000000000
   C   7    0.0000000000
   C   8    0.0000000000
   C   9    0.0000000000
   C  10    0.0000000000
   C  11    0.0000000000
   C  12    0.0000000000
   C  13    0.0000000000
   C  14    0.0000000000
   C  15    0.0000000000
   C  16    0.0000000000
   C  17    0.0000000000
   C  18    0.0000000000
   C  19    0.0000000000
   C  20    0.0000000000
   C  21    0.0000000000
   C  22    0.0000000000
   C  23    0.0000000000
   H  24    0.0000000000
   H  25    0.0000000000
   H  26    0.0000000000
   H  27    0.0000000000
   H  28    0.0000000000
   H  29    0.0000000000
   H  30    0.0000000000
   H  31    0.0000000000
   H  32    0.0000000000
   H  33    0.0000000000
   H  34    0.0000000000
   H  35    0.0000000000
   H  36    0.0000000000
   H  37    0.0000000000
   H  38    0.0000000000
   H  39    0.0000000000
   H  40    0.0000000000
   H  41    0.0000000000


BOND ANGLES
   2    1    4   O3   Sn  Car     90.000
   2    1    5   O3   Sn  Car     90.000
   2    1    6   O3   Sn  Car    179.974
   4    1    5  Car   Sn  Car    179.974
   4    1    6  Car   Sn  Car     90.000
   5    1    6  Car   Sn  Car     90.000
   1    2   19   Sn   O3   C2    160.001
   1    4    9   Sn  Car  Car    120.001
   1    4   12   Sn  Car  Car    119.998
   9    4   12  Car  Car  Car    120.001
   1    5    8   Sn  Car  Car    119.998
   1    5   11   Sn  Car  Car    120.001
   8    5   11  Car  Car  Car    120.001
   1    6    7   Sn  Car  Car    120.001
   1    6   10   Sn  Car  Car    120.001
   7    6   10  Car  Car  Car    119.999
   6    7   15  Car  Car  Car    120.001
   6    7   24  Car  Car   HC    120.002
  15    7   24  Car  Car   HC    119.997
   5    8   14  Car  Car  Car    119.998
   5    8   25  Car  Car   HC    120.000
  14    8   25  Car  Car   HC    120.002
   4    9   13  Car  Car  Car    120.001
   4    9   26  Car  Car   HC    119.998
  13    9   26  Car  Car   HC    120.002
   6   10   18  Car  Car  Car    120.001
   6   10   27  Car  Car   HC    120.002
  18   10   27  Car  Car   HC    119.997
   5   11   17  Car  Car  Car    120.001
   5   11   28  Car  Car   HC    119.998
  17   11   28  Car  Car   HC    120.002
   4   12   16  Car  Car  Car    119.998
   4   12   29  Car  Car   HC    120.000
  16   12   29  Car  Car   HC    120.002
   9   13   20  Car  Car  Car    120.001
   9   13   30  Car  Car   HC    120.002
  20   13   30  Car  Car   HC    119.998
   8   14   21  Car  Car  Car    119.998
   8   14   31  Car  Car   HC    120.002
  21   14   31  Car  Car   HC    120.000
   7   15   22  Car  Car  Car    120.001
   7   15   32  Car  Car   HC    119.997
  22   15   32  Car  Car   HC    120.002
  12   16   20  Car  Car  Car    119.998
  12   16   33  Car  Car   HC    120.002
  20   16   33  Car  Car   HC    120.000
  11   17   21  Car  Car  Car    120.001
  11   17   34  Car  Car   HC    120.002
  21   17   34  Car  Car   HC    119.998
  10   18   22  Car  Car  Car    120.001
  10   18   35  Car  Car   HC    119.997
  22   18   35  Car  Car   HC    120.002
   2   19    3   O3   C2   O2    119.996
   2   19   23   O3   C2   C3    119.999
   3   19   23   O2   C2   C3    120.005
  13   20   16  Car  Car  Car    120.001
  13   20   36  Car  Car   HC    120.001
  16   20   36  Car  Car   HC    119.998
  14   21   17  Car  Car  Car    120.001
  14   21   37  Car  Car   HC    119.998
  17   21   37  Car  Car   HC    120.001
  15   22   18  Car  Car  Car    119.999
  15   22   38  Car  Car   HC    120.001
  18   22   38  Car  Car   HC    120.001
  19   23   39   C2   C3   HC     89.993
  19   23   40   C2   C3   HC    179.974
  19   23   41   C2   C3   HC     90.001
  39   23   40   HC   C3   HC     90.000
  39   23   41   HC   C3   HC    179.974
  40   23   41   HC   C3   HC     90.006


TORSION ANGLES
   4    1    2   19    179.974
   5    1    2   19      0.026
   6    1    2   19    180.000
   2    1    4    9      0.026
   2    1    4   12    179.974
   5    1    4    9    180.000
   5    1    4   12    180.000
   6    1    4    9    179.974
   6    1    4   12      0.026
   2    1    5    8    179.974
   2    1    5   11      0.026
   4    1    5    8    180.000
   4    1    5   11    180.000
   6    1    5    8      0.026
   6    1    5   11    179.974
   2    1    6    7    180.000
   2    1    6   10    180.000
   4    1    6    7      0.026
   4    1    6   10    179.974
   5    1    6    7    179.974
   5    1    6   10      0.026
   1    2   19    3      0.026
   1    2   19   23    179.974
   1    4    9   13    179.974
   1    4    9   26      0.026
  12    4    9   13      0.026
  12    4    9   26    179.974
   1    4   12   16    179.974
   1    4   12   29      0.026
   9    4   12   16      0.026
   9    4   12   29    179.974
   1    5    8   14    179.974
   1    5    8   25      0.026
  11    5    8   14      0.026
  11    5    8   25    179.974
   1    5   11   17    179.974
   1    5   11   28      0.026
   8    5   11   17      0.026
   8    5   11   28    179.974
   1    6    7   15    179.974
   1    6    7   24      0.026
  10    6    7   15      0.026
  10    6    7   24    179.974
   1    6   10   18    179.974
   1    6   10   27      0.026
   7    6   10   18      0.026
   7    6   10   27    179.974
   6    7   15   22      0.026
   6    7   15   32    179.974
  24    7   15   22    179.974
  24    7   15   32      0.026
   5    8   14   21      0.026
   5    8   14   31    179.974
  25    8   14   21    179.974
  25    8   14   31      0.026
   4    9   13   20      0.026
   4    9   13   30    179.974
  26    9   13   20    179.974
  26    9   13   30      0.026
   6   10   18   22      0.026
   6   10   18   35    179.974
  27   10   18   22    179.974
  27   10   18   35      0.026
   5   11   17   21      0.026
   5   11   17   34    179.974
  28   11   17   21    179.974
  28   11   17   34      0.026
   4   12   16   20      0.026
   4   12   16   33    179.974
  29   12   16   20    179.974
  29   12   16   33      0.026
   9   13   20   16      0.026
   9   13   20   36    179.974
  30   13   20   16    179.974
  30   13   20   36      0.026
   8   14   21   17      0.026
   8   14   21   37    179.974
  31   14   21   17    179.974
  31   14   21   37      0.026
   7   15   22   18      0.026
   7   15   22   38    179.974
  32   15   22   18    179.974
  32   15   22   38      0.026
  12   16   20   13      0.026
  12   16   20   36    179.974
  33   16   20   13    179.974
  33   16   20   36      0.026
  11   17   21   14      0.026
  11   17   21   37    179.974
  34   17   21   14    179.974
  34   17   21   37      0.026
  10   18   22   15      0.026
  10   18   22   38    179.974
  35   18   22   15    179.974
  35   18   22   38      0.026
   2   19   23   39    179.974
   2   19   23   40    179.974
   2   19   23   41      0.026
   3   19   23   39      0.026
   3   19   23   40      0.026
   3   19   23   41    179.974