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2,2-dibutyl-1,3,2-oxathiastanninan-6-one
2,2-dibutyl-1,3,2-oxathiastanninan-6-one ID: AN-23932
CAS:78-06-8
Supplier:AN PharmaTech Co Ltd

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SMILES:[Sn]1(SCCC(=O)O1)(CCCC)CCCC	16682766
FORMULA: C11H22O2SSn
MASS: 337.0572
EXACT MASS: 338.0362449
INTERATOMIC DISTANCES

             Sn   1      S   2      O   3      O   4      C   5      C   6
              ------------------------------------------------------------------
  Sn   1    0.0000 
   S   2    1.0000     0.0000 
   O   3    1.0000     1.7320     0.0000 
   O   4    2.6457     2.9999     1.7320     0.0000 
   C   5    1.0000     1.9318     1.4142     3.1196     0.0000 
   C   6    1.0000     1.4142     1.9318     3.6326     1.0000     0.0000 
   C   7    1.7320     2.7320     1.5060     2.8754     1.0000     2.0000 
   C   8    1.7320     1.5060     2.7320     4.3197     2.0000     1.0000 
   C   9    1.7320     1.0000     2.0000     2.6457     2.7320     2.3941 
   C  10    2.6457     3.6326     2.5036     3.7416     1.7320     2.6457 
   C  11    2.6457     2.5036     3.6326     5.2778     2.6457     1.7320 
   C  12    2.0000     1.7320     1.7320     1.7320     2.9093     2.9093 
   C  13    1.7320     2.0000     1.0000     1.0000     2.3941     2.7320 
   C  14    3.4641     3.0880     4.4641     6.0266     3.6055     2.6457 
   C  15    3.4641     4.4641     3.0880     3.9415     2.6457     3.6055 
   H  16    1.0812     1.8412     1.7618     3.4921     0.4682     0.6200 
   H  17    1.5968     1.9934     2.4655     4.1906     1.2648     0.6200 
   H  18    1.5968     2.4655     1.9934     3.6539     0.6200     1.2648 
   H  19    1.0812     1.7618     1.8412     3.5731     0.6200     0.4682 
   H  20    1.4155     2.3813     0.9207     2.2808     1.0812     1.9884 
   H  21    2.1828     3.1663     1.6768     2.6770     1.5967     2.5913 
   H  22    2.1828     1.6768     3.1663     4.6470     2.5913     1.5967 
   H  23    1.4155     0.9207     2.3813     3.8533     1.9884     1.0812 
   H  24    2.0296     1.0813     2.5068     3.2656     3.0012     2.4605 
   H  25    2.3451     1.5967     2.5068     2.8113     3.3443     3.0047 
   H  26    2.4059     2.5055     3.3448     5.0472     2.1997     1.4156 
   H  27    3.1512     3.1020     4.1138     5.7967     2.9967     2.1829 
   H  28    3.1512     4.1138     3.1020     4.3588     2.1829     2.9967 
   H  29    2.4059     3.3448     2.5055     3.9566     1.4156     2.1997 
   H  30    2.5069     2.0296     2.3451     2.1828     3.4597     3.3425 
   H  31    2.5069     2.3451     2.0296     1.4156     3.3425     3.4597 
   H  32    3.1995     4.1886     2.6744     3.3604     2.5121     3.5086 
   H  33    4.0130     5.0106     3.5449     4.1824     3.2380     4.2100 
   H  34    3.8121     4.8042     3.5620     4.5330     2.9083     3.8024 
   H  35    3.8121     3.5620     4.8042     6.4290     3.8024     2.9083 
   H  36    4.0130     3.5449     5.0106     6.5247     4.2100     3.2380 
   H  37    3.1995     2.6744     4.1886     5.6636     3.5086     2.5121 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.0000     0.0000 
   C   9    3.3460     2.4495     0.0000 
   C  10    1.0000     3.6055     4.3197     0.0000 
   C  11    3.6055     1.0000     3.4252     4.0000     0.0000 
   C  12    3.2348     3.2348     1.0000     4.2341     4.2341     0.0000 
   C  13    2.4495     3.3460     1.7320     3.4252     4.3197     1.0000 
   C  14    4.5826     1.7320     3.8730     5.0000     1.0000     4.7883 
   C  15    1.7320     4.5826     5.0390     1.0000     5.0000     4.7883 
   H  16    1.4332     1.5967     2.7470     2.0259     2.1829     3.0791 
   H  17    2.1944     1.0812     2.9878     2.6202     1.4155     3.5293 
   H  18    1.0812     2.1944     3.3214     1.4155     2.6202     3.5293 
   H  19    1.5967     1.4332     2.6944     2.1829     2.0259     3.0791 
   H  20    0.6200     2.9561     2.8603     1.5968     3.6997     2.6505 
   H  21    0.6200     3.5889     3.6515     1.0813     4.2225     3.3735 
   H  22    3.5889     0.6200     2.4737     4.2225     1.0813     3.3735 
   H  23    2.9561     0.6200     1.8326     3.6997     1.5968     2.6505 
   H  24    3.7364     2.2585     0.6200     4.6743     3.1679     1.5967 
   H  25    3.9167     2.9786     0.6200     4.9016     3.9244     1.0813 
   H  26    3.1102     1.0813     3.4880     3.4240     0.6200     4.1911 
   H  27    3.8982     1.5968     4.0382     4.1528     0.6200     4.8271 
   H  28    1.5968     3.8982     4.8589     0.6200     4.1528     4.8271 
   H  29    1.0813     3.1102     4.1323     0.6200     3.4240     4.1911 
   H  30    3.8427     3.5179     1.0813     4.8427     4.5015     0.6200 
   H  31    3.5179     3.8427     1.5967     4.5015     4.8427     0.6200 
   H  32    1.5200     4.5067     4.6657     1.1766     5.0383     4.3226 
   H  33    2.2901     5.1927     5.5290     1.6200     5.6200     5.1993 
   H  34    2.1114     4.7390     5.4575     1.1766     5.0383     5.2858 
   H  35    4.7390     2.1114     4.4036     5.0383     1.1766     5.2858 
   H  36    5.1927     2.2901     4.2462     5.6200     1.6200     5.1993 
   H  37    4.5067     1.5200     3.3729     5.0383     1.1766     4.3226 

              C  13      C  14      C  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    5.0390     0.0000 
   C  15    3.8730     6.0000     0.0000 
   H  16    2.6944     3.1512     2.9898     0.0000 
   H  17    3.3214     2.4059     3.6167     0.7971     0.0000 
   H  18    2.9878     3.6167     2.4059     0.6593     1.2154     0.0000 
   H  19    2.7470     2.9898     3.1512     0.1652     0.6593     0.7971 
   H  20    1.8326     4.6339     2.1829     1.5466     2.3434     1.4515 
   H  21    2.4737     5.1957     1.4156     2.0445     2.8133     1.6888 
   H  22    3.6515     1.4156     5.1957     2.2063     1.6888     2.8133 
   H  23    2.8603     2.1829     4.6339     1.6888     1.4515     2.3434 
   H  24    2.3451     3.4760     5.4591     2.9213     2.9977     3.5462 
   H  25    2.0295     4.2714     5.5841     3.3670     3.5902     3.9383 
   H  26    4.1323     1.5967     4.4225     1.7321     0.9350     2.0784 
   H  27    4.8589     1.0812     5.1441     2.5292     1.7320     2.8501 
   H  28    4.0382     5.1441     1.0812     2.3875     2.8501     1.7320 
   H  29    3.4880     4.4225     1.5967     1.5912     2.0784     0.9350 
   H  30    1.5967     4.9464     5.4082     3.5854     3.9571     4.0777 
   H  31    1.0813     5.4082     4.9464     3.5670     4.0777     3.9571 
   H  32    3.3729     6.0319     0.6200     2.9176     3.6261     2.4199 
   H  33    4.2462     6.6200     0.6200     3.5973     4.2354     3.0231 
   H  34    4.4036     6.0319     0.6200     3.1834     3.7124     2.5474 
   H  35    5.4575     0.6200     6.0319     3.3355     2.5474     3.7124 
   H  36    5.5290     0.6200     6.6200     3.7599     3.0231     4.2354 
   H  37    4.6657     0.6200     6.0319     3.0828     2.4199     3.6261 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    1.6888     0.0000 
   H  21    2.2063     0.7971     0.0000 
   H  22    2.0445     3.4977     4.1652     0.0000 
   H  23    1.5466     2.7846     3.4977     0.7971     0.0000 
   H  24    2.8366     3.3084     4.1055     2.1341     1.6500     0.0000 
   H  25    3.3137     3.4013     4.1807     2.9150     2.3590     0.7970 
   H  26    1.5912     3.2781     3.7302     1.4516     1.6889     3.3370 
   H  27    2.3875     4.0751     4.5178     1.6889     2.2064     3.7879 
   H  28    2.5292     2.2064     1.6889     4.5178     4.0751     5.1766 
   H  29    1.7321     1.6889     1.4516     3.7302     3.2781     4.4167 
   H  30    3.5670     3.2653     3.9932     3.5533     2.9056     1.5278 
   H  31    3.5854     2.9056     3.5533     3.9932     3.2653     2.1652 
   H  32    3.0828     1.8217     1.0254     5.1032     4.4750     5.1295 
   H  33    3.7599     2.6726     1.8777     5.8036     5.2253     5.9781 
   H  34    3.3355     2.6421     1.9301     5.3588     4.8670     5.8361 
   H  35    3.1834     4.8670     5.3588     1.9301     2.6421     4.0424 
   H  36    3.5973     5.2253     5.8036     1.8777     2.6726     3.7889 
   H  37    2.9176     4.4750     5.1032     1.0254     1.8217     2.9313 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    4.0410     0.0000 
   H  27    4.5434     0.7971     0.0000 
   H  28    5.4527     3.5476     4.2154     0.0000 
   H  29    4.7373     2.8348     3.5476     0.7971     0.0000 
   H  30    0.7848     4.5350     5.1118     5.4305     4.7776     0.0000 
   H  31    1.5278     4.7776     5.4305     5.1118     4.5350     0.7970 
   H  32    5.1804     4.4951     5.2539     1.5201     1.7880     4.9413 
   H  33    6.0517     5.0419     5.7602     1.6309     2.2128     5.8178 
   H  34    6.0247     4.4362     5.1077     0.8923     1.6343     5.9034 
   H  35    4.8332     1.6343     0.8923     5.1077     4.4362     5.4834 
   H  36    4.5839     2.2128     1.6309     5.7602     5.0419     5.2988 
   H  37    3.7282     1.7880     1.5201     5.2539     4.4951     4.4311 

              H  31      H  32      H  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   H  31    0.0000 
   H  32    4.4311     0.0000 
   H  33    5.2988     0.8768     0.0000 
   H  34    5.4834     1.2400     0.8768     0.0000 
   H  35    5.9034     6.1268     6.6490     6.0000     0.0000 
   H  36    5.8178     6.6490     7.2400     6.6490     0.8768     0.0000 
   H  37    4.9413     6.0000     6.6490     6.1268     1.2400     0.8768 

              H  37
              -----------
   H  37    0.0000 



ATOMIC CHARGES
  Sn   1    0.0000000000
   S   2    0.0000000000
   O   3    0.0000000000
   O   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
   H  16    0.0000000000
   H  17    0.0000000000
   H  18    0.0000000000
   H  19    0.0000000000
   H  20    0.0000000000
   H  21    0.0000000000
   H  22    0.0000000000
   H  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


BOND ANGLES
   2    1    3   S3   Sn   O3    119.999
   2    1    5   S3   Sn   C3    150.001
   2    1    6   S3   Sn   C3     90.000
   3    1    5   O3   Sn   C3     90.000
   3    1    6   O3   Sn   C3    150.001
   5    1    6   C3   Sn   C3     60.001
   1    2    9   Sn   S3   C3    120.001
   1    3   13   Sn   O3   C2    120.001
   1    5    7   Sn   C3   C3    120.001
   1    5   18   Sn   C3   HC    160.002
   1    5   19   Sn   C3   HC     79.995
   7    5   18   C3   C3   HC     79.997
   7    5   19   C3   C3   HC    160.004
  18    5   19   HC   C3   HC     80.007
   1    6    8   Sn   C3   C3    120.001
   1    6   16   Sn   C3   HC     79.995
   1    6   17   Sn   C3   HC    160.002
   8    6   16   C3   C3   HC    160.004
   8    6   17   C3   C3   HC     79.997
  16    6   17   HC   C3   HC     80.007
   5    7   10   C3   C3   C3    120.001
   5    7   20   C3   C3   HC     79.997
   5    7   21   C3   C3   HC    159.996
  10    7   20   C3   C3   HC    160.002
  10    7   21   C3   C3   HC     80.004
  20    7   21   HC   C3   HC     79.999
   6    8   11   C3   C3   C3    120.001
   6    8   22   C3   C3   HC    159.996
   6    8   23   C3   C3   HC     79.997
  11    8   22   C3   C3   HC     80.004
  11    8   23   C3   C3   HC    160.002
  22    8   23   HC   C3   HC     79.999
   2    9   12   S3   C3   C3    120.001
   2    9   24   S3   C3   HC     80.006
   2    9   25   S3   C3   HC    159.996
  12    9   24   C3   C3   HC    159.993
  12    9   25   C3   C3   HC     80.004
  24    9   25   HC   C3   HC     79.990
   7   10   15   C3   C3   C3    120.001
   7   10   28   C3   C3   HC    160.002
   7   10   29   C3   C3   HC     80.004
  15   10   28   C3   C3   HC     79.997
  15   10   29   C3   C3   HC    159.996
  28   10   29   HC   C3   HC     79.999
   8   11   14   C3   C3   C3    120.001
   8   11   26   C3   C3   HC     80.004
   8   11   27   C3   C3   HC    160.002
  14   11   26   C3   C3   HC    159.996
  14   11   27   C3   C3   HC     79.997
  26   11   27   HC   C3   HC     79.999
   9   12   13   C3   C3   C2    119.999
   9   12   30   C3   C3   HC     80.006
   9   12   31   C3   C3   HC    159.996
  13   12   30   C2   C3   HC    159.996
  13   12   31   C2   C3   HC     80.006
  30   12   31   HC   C3   HC     79.990
   3   13    4   O3   C2   O2    120.001
   3   13   12   O3   C2   C3    120.001
   4   13   12   O2   C2   C3    119.999
  11   14   35   C3   C3   HC     90.000
  11   14   36   C3   C3   HC    179.974
  11   14   37   C3   C3   HC     90.000
  35   14   36   HC   C3   HC     90.000
  35   14   37   HC   C3   HC    179.974
  36   14   37   HC   C3   HC     90.000
  10   15   32   C3   C3   HC     90.000
  10   15   33   C3   C3   HC    179.974
  10   15   34   C3   C3   HC     90.000
  32   15   33   HC   C3   HC     90.000
  32   15   34   HC   C3   HC    179.974
  33   15   34   HC   C3   HC     90.000


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