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Fenamiphos
Fenamiphos ID: API-5077
CAS:22224-92-6
Supplier:APIchem

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SMILES:S(c1c(cc(OP(=O)(OCC)NC(C)C)cc1)C)C	ChemMol.com
FORMULA: C13H22NO3PS
MASS: 303.3574
EXACT MASS: 303.1058012
INTERATOMIC DISTANCES

              S   1      P   2      O   3      O   4      O   5      N   6
              ------------------------------------------------------------------
   S   1    0.0000 
   P   2    4.5826     0.0000 
   O   3    4.0000     1.0001     0.0000 
   O   4    5.3785     1.0000     1.4142     0.0000 
   O   5    3.8823     1.0000     1.4143     2.0000     0.0000 
   N   6    5.2915     1.0000     2.0000     1.4142     1.4142     0.0000 
   C   7    6.2450     1.7320     2.6458     1.5060     2.3941     1.0000 
   C   8    7.0000     2.6457     3.6056     2.5036     3.1196     1.7320 
   C   9    6.5574     2.0000     2.6458     1.2393     2.9093     1.7320 
   C  10    3.0000     1.7321     1.0000     2.3942     1.5060     2.6458 
   C  11    1.7320     3.4641     2.6457     4.0576     3.0881     4.3589 
   C  12    2.6457     2.6458     1.7320     3.1196     2.5036     3.6056 
   C  13    5.4033     1.7320     1.5059     1.0000     2.6457     2.3941 
   C  14    2.6458     2.0000     1.7321     2.9093     1.2393     2.6457 
   C  15    1.0000     3.6056     3.0000     4.3813     2.9672     4.3589 
   C  16    1.7321     3.0000     2.6458     3.8982     2.1918     3.6055 
   C  17    2.0000     4.3589     3.4641     4.8440     4.0665     5.2915 
   C  18    6.3343     2.6457     2.5035     1.7320     3.6055     3.1196 
   C  19    1.0001     5.0000     4.5826     5.8873     4.1641     5.5678 
   H  20    6.1257     1.8396     2.8292     1.9303     2.2455     0.8743 
   H  21    5.2100     1.4157     2.3716     2.0194     1.3894     0.6200 
   H  22    6.6344     2.5121     3.5087     2.6112     2.7933     1.5200 
   H  23    7.4970     3.2380     4.2101     3.1229     3.6354     2.2901 
   H  24    7.3996     2.9083     3.8024     2.5468     3.5256     2.1114 
   H  25    7.1345     2.5558     3.2567     1.8569     3.4082     2.1114 
   H  26    6.8179     2.3716     2.8292     1.4445     3.3410     2.2901 
   H  27    5.9890     1.4956     2.0403     0.6266     2.4659     1.5200 
   H  28    3.1407     2.8292     1.8396     3.1085     2.8890     3.8242 
   H  29    5.2956     2.1829     1.6768     1.5967     2.9967     2.9526 
   H  30    4.7844     1.4156     0.9207     1.0813     2.1997     2.2716 
   H  31    3.1408     1.7732     1.8397     2.7583     0.8248     2.2146 
   H  32    1.8397     3.3533     3.1408     4.3028     2.4443     3.8242 
   H  33    2.5557     4.1517     3.1995     4.5234     4.0016     5.1222 
   H  34    2.3715     4.9340     4.0130     5.3673     4.6776     5.8808 
   H  35    1.4955     4.6403     3.8121     5.2188     4.2223     5.5256 
   H  36    6.5692     2.5121     2.6112     1.5200     3.5086     2.7933 
   H  37    6.9213     3.2380     3.1229     2.2901     4.2100     3.6354 
   H  38    6.1532     2.9083     2.5468     2.1115     3.8024     3.5257 
   H  39    1.1766     5.5456     5.0675     6.4057     4.7406     6.1504 
   H  40    1.6200     5.3371     5.0104     6.2624     4.4442     5.8193 
   H  41    1.1767     4.4739     4.1339     5.3903     3.6021     4.9941 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   C   9    1.0000     1.7320     0.0000 
   C  10    3.4641     4.3589     3.6056     0.0000 
   C  11    5.1962     6.0828     5.2915     1.7320     0.0000 
   C  12    4.3589     5.2915     4.3589     1.0000     1.0000     0.0000 
   C  13    2.4495     3.4252     1.8804     2.4494     3.8730     2.8754 
   C  14    3.6055     4.3589     4.0000     1.0001     2.0000     1.7321 
   C  15    5.2915     6.0828     5.5678     2.0000     1.0000     1.7320 
   C  16    4.5826     5.2915     5.0000     1.7321     1.7321     2.0000 
   C  17    6.0828     7.0000     6.0828     2.6457     1.0000     1.7320 
   C  18    2.8754     3.7416     2.0179     3.4251     4.7396     3.7416 
   C  19    6.5574     7.2111     7.0000     3.6056     2.6458     3.4641 
   H  20    0.6200     0.8743     1.6199     3.5192     5.2330     4.4726 
   H  21    1.4158     1.8397     2.2900     2.8292     4.4726     3.8242 
   H  22    1.1766     0.6200     2.1114     4.1517     5.8449     5.1222 
   H  23    1.6200     0.6201     2.2901     4.9341     6.6487     5.8809 
   H  24    1.1766     0.6200     1.5200     4.6403     6.3723     5.5256 
   H  25    1.1766     1.5200     0.6200     4.2047     5.9015     4.9753 
   H  26    1.6200     2.2901     0.6201     3.8242     5.4428     4.4726 
   H  27    1.1766     2.1114     0.6200     3.0148     4.6842     3.7437 
   H  28    4.4726     5.4428     4.3318     1.4157     1.4158     0.6200 
   H  29    3.0676     4.0451     2.4797     2.4738     3.6708     2.6770 
   H  30    2.5786     3.5785     2.2321     1.8326     3.2731     2.2808 
   H  31    3.2069     3.8787     3.7289     1.4158     2.6200     2.2901 
   H  32    4.8212     5.4428     5.3371     2.2901     2.2901     2.6200 
   H  33    5.8449     6.7943     5.7523     2.5121     1.1766     1.5200 
   H  34    6.6486     7.5792     6.6018     3.2379     1.6199     2.2900 
   H  35    6.3723     7.2530     6.4560     2.9083     1.1766     2.1114 
   H  36    2.3913     3.1954     1.4637     3.5920     5.0492     4.0509 
   H  37    3.2678     4.0509     2.3256     4.0361     5.3006     4.3079 
   H  38    3.4039     4.3080     2.6020     3.3660     4.4947     3.5154 
   H  39    7.1345     7.8086     7.5433     4.0750     2.9083     3.8121 
   H  40    6.8179     7.4070     7.3297     4.0601     3.2380     4.0130 
   H  41    5.9890     6.6177     6.4705     3.1880     2.5121     3.1995 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    3.2348     0.0000 
   C  15    4.4118     1.7321     0.0000 
   C  16    4.1468     1.0000     1.0001     0.0000 
   C  17    4.5020     3.0000     1.7320     2.6458     0.0000 
   C  18    1.0000     4.2341     5.3535     5.1373     5.2661     0.0000 
   C  19    6.0547     3.0000     1.7321     2.0000     3.0000     7.0228 
   H  20    2.9209     3.4849     5.2100     4.4186     6.1647     3.4458 
   H  21    2.9806     2.6008     4.3318     3.4849     5.4428     3.7360 
   H  22    3.5920     4.0203     5.7523     4.9081     6.7943     4.0509 
   H  23    4.0361     4.8708     6.6019     5.7745     7.5792     4.3080 
   H  24    3.3660     4.7545     6.4560     5.7166     7.2530     3.5154 
   H  25    2.4633     4.5475     6.1504     5.5456     6.7008     2.4462 
   H  26    1.7357     4.3433     5.8193     5.3371     6.1648     1.5730 
   H  27    1.3314     3.4769     4.9942     4.4739     5.4651     1.7113 
   H  28    2.6692     2.2901     2.2900     2.6200     1.8397     3.4326 
   H  29    0.6200     3.3736     4.3285     4.2058     4.1859     1.0812 
   H  30    0.6200     2.6506     3.7921     3.5407     3.9442     1.5967 
   H  31    3.2683     0.6200     2.2901     1.4158     3.6200     4.2598 
   H  32    4.6463     1.4158     1.4158     0.6200     3.1408     5.6443 
   H  33    4.0798     3.0634     2.1114     2.9083     0.6200     4.7821 
   H  34    4.9536     3.6200     2.2900     3.2380     0.6200     5.6570 
   H  35    4.9658     3.0634     1.5200     2.5121     0.6200     5.7761 
   H  36    1.1766     4.2987     5.5741     5.2500     5.6570     0.6200 
   H  37    1.6200     4.8539     5.9469     5.7531     5.7762     0.6201 
   H  38    1.1766     4.2599     5.1979     5.0981     4.9224     0.6201 
   H  39    6.5125     3.5505     2.1114     2.5558     3.0634     7.4628 
   H  40    6.5032     3.3533     2.2901     2.3716     3.6200     7.4850 
   H  41    5.6281     2.4825     1.5201     1.4956     3.0634     6.6118 

              C  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   C  19    0.0000 
   H  20    6.3470     0.0000 
   H  21    5.3763     1.0000     0.0000 
   H  22    6.7780     0.6950     1.4245     0.0000 
   H  23    7.6540     1.4158     2.2901     0.8768     0.0000 
   H  24    7.6699     1.3470     2.3470     1.2399     0.8769     0.0000 
   H  25    7.5433     1.7345     2.5889     2.0379     1.9721     1.1120 
   H  26    7.3297     2.2400     2.8736     2.7145     2.8060     1.9721 
   H  27    6.4705     1.7345     2.1342     2.3520     2.7145     2.0379 
   H  28    4.0130     4.6666     4.1252     5.3410     6.0493     5.6116 
   H  29    6.0254     3.5265     3.5162     4.2032     4.6560     3.9784 
   H  30    5.4367     2.9474     2.7961     3.6406     4.1985     3.6230 
   H  31    3.3533     3.0074     2.0699     3.4939     4.3589     4.3186 
   H  32    1.7732     4.5826     3.6055     5.0048     5.8809     5.9135 
   H  33    3.5505     5.9861     5.3410     6.6404     7.3897     7.0000 
   H  34    3.3533     6.7522     6.0492     7.3896     8.1644     7.8134 
   H  35    2.4825     6.3987     5.6116     7.0000     7.8135     7.5485 
   H  36    7.1924     2.9900     3.4123     3.5526     3.7417     2.9272 
   H  37    7.6272     3.8665     4.2553     4.4260     4.5792     3.7416 
   H  38    6.9050     3.9467     4.1280     4.5792     4.8873     4.1130 
   H  39    0.6200     6.9416     5.9776     7.3846     8.2598     8.2575 
   H  40    0.6200     6.5574     5.5678     6.9383     7.8144     7.8967 
   H  41    0.6200     5.7578     4.7797     6.1741     7.0507     7.0878 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    0.8769     0.0000 
   H  27    1.2399     0.8768     0.0000 
   H  28    4.9516     4.3589     3.7121     0.0000 
   H  29    3.0446     2.2652     1.9485     2.3514     0.0000 
   H  30    2.8466     2.2256     1.6218     2.1338     0.7970     0.0000 
   H  31    4.2330     4.1416     3.2649     2.8059     3.5151     2.7399 
   H  32    5.8513     5.7217     4.8477     3.2400     4.7513     4.0539 
   H  33    6.3723     5.7817     5.1324     1.4245     3.7101     3.5575 
   H  34    7.2216     6.6486     5.9822     2.2901     4.5864     4.4231 
   H  35    7.0686     6.5840     5.8449     2.3470     4.6954     4.3848 
   H  36    1.8409     0.9641     1.2903     3.8180     1.5200     1.7880 
   H  37    2.6337     1.7735     2.1563     3.9592     1.6309     2.2128 
   H  38    3.0575     2.1883     2.2274     3.1235     0.8924     1.6343 
   H  39    8.0976     7.8502     7.0000     4.3170     6.4397     5.8926 
   H  40    7.8502     7.6953     6.8258     4.5801     6.5139     5.8903 
   H  41    7.0000     6.8259     5.9585     3.7870     5.6488     5.0162 

              H  31      H  32      H  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   H  31    0.0000 
   H  32    1.6200     0.0000 
   H  33    3.6727     3.4624     0.0000 
   H  34    4.2400     3.7058     0.8768     0.0000 
   H  35    3.6727     2.9170     1.2399     0.8768     0.0000 
   H  36    4.2341     5.7135     5.2095     6.0861     6.1346     0.0000 
   H  37    4.8763     6.2634     5.2662     6.1347     6.3059     0.8768 
   H  38    4.3742     5.6428     4.4008     5.2661     5.4646     1.2400 
   H  39    3.9390     2.3825     3.6571     3.3110     2.4825     7.6661 
   H  40    3.6200     2.0000     4.1684     3.9665     3.0986     7.6192 
   H  41    2.7824     1.1752     3.5505     3.5064     2.6328     6.7424 

              H  37      H  38      H  39      H  40      H  41
              -------------------------------------------------------
   H  37    0.0000 
   H  38    0.8769     0.0000 
   H  39    8.0580     7.3066     0.0000 
   H  40    8.0961     7.4006     0.8768     0.0000 
   H  41    7.2240     6.5376     1.2399     0.8768     0.0000 



ATOMIC CHARGES
   S   1   -0.1283250578
   P   2    0.4618234858
   O   3   -0.4127669298
   O   4   -0.2872439175
   O   5   -0.2281068305
   N   6   -0.2094643063
   C   7    0.0130148504
   C   8   -0.0494228010
   C   9   -0.0494228010
   C  10    0.1314451394
   C  11   -0.0336008927
   C  12   -0.0154692836
   C  13    0.0563017697
   C  14   -0.0183682079
   C  15    0.0107461164
   C  16   -0.0446082392
   C  17   -0.0385525802
   C  18   -0.0409991605
   C  19   -0.0134483106
   H  20    0.0460137148
   H  21    0.1348751040
   H  22    0.0244689153
   H  23    0.0244689153
   H  24    0.0244689153
   H  25    0.0244689153
   H  26    0.0244689153
   H  27    0.0244689153
   H  28    0.0657104108
   H  29    0.0562739945
   H  30    0.0562739945
   H  31    0.0654458155
   H  32    0.0629733287
   H  33    0.0277880603
   H  34    0.0277880603
   H  35    0.0277880603
   H  36    0.0251852727
   H  37    0.0251852727
   H  38    0.0251852727
   H  39    0.0343893678
   H  40    0.0343893678
   H  41    0.0343893678


BOND ANGLES
  15    1   19  Car   S3   C3    119.998
   3    2    4   O3    P   O3     89.997
   3    2    5   O3    P   O2     90.003
   3    2    6   O3    P   N3    179.974
   4    2    5   O3    P   O2    179.974
   4    2    6   O3    P   N3     90.000
   5    2    6   O2    P   N3     90.000
   2    3   10    P   O3  Car    119.998
   2    4   13    P   O3   C3    120.001
   2    6    7    P   N3   C3    120.001
   2    6   21    P   N3   HC    119.998
   7    6   21   C3   N3   HC    120.002
   6    7    8   N3   C3   C3    120.001
   6    7    9   N3   C3   C3    120.001
   6    7   20   N3   C3   HC     59.998
   8    7    9   C3   C3   C3    119.999
   8    7   20   C3   C3   HC     60.002
   9    7   20   C3   C3   HC    179.974
   7    8   22   C3   C3   HC     90.001
   7    8   23   C3   C3   HC    179.974
   7    8   24   C3   C3   HC     89.999
  22    8   23   HC   C3   HC     89.995
  22    8   24   HC   C3   HC    179.974
  23    8   24   HC   C3   HC     90.005
   7    9   25   C3   C3   HC     89.999
   7    9   26   C3   C3   HC    179.974
   7    9   27   C3   C3   HC     90.001
  25    9   26   HC   C3   HC     90.005
  25    9   27   HC   C3   HC    179.974
  26    9   27   HC   C3   HC     89.995
   3   10   12   O3  Car  Car    120.001
   3   10   14   O3  Car  Car    119.998
  12   10   14  Car  Car  Car    120.001
  12   11   15  Car  Car  Car    120.001
  12   11   17  Car  Car   C3    120.001
  15   11   17  Car  Car   C3    119.999
  10   12   11  Car  Car  Car    120.001
  10   12   28  Car  Car   HC    119.998
  11   12   28  Car  Car   HC    120.002
   4   13   18   O3   C3   C3    120.001
   4   13   29   O3   C3   HC    160.004
   4   13   30   O3   C3   HC     80.006
  18   13   29   C3   C3   HC     79.995
  18   13   30   C3   C3   HC    159.993
  29   13   30   HC   C3   HC     79.998
  10   14   16  Car  Car  Car    119.998
  10   14   31  Car  Car   HC    120.000
  16   14   31  Car  Car   HC    120.002
   1   15   11   S3  Car  Car    120.001
   1   15   16   S3  Car  Car    119.998
  11   15   16  Car  Car  Car    120.001
  14   16   15  Car  Car  Car    119.998
  14   16   32  Car  Car   HC    120.002
  15   16   32  Car  Car   HC    120.000
  11   17   33  Car   C3   HC     90.001
  11   17   34  Car   C3   HC    179.974
  11   17   35  Car   C3   HC     89.999
  33   17   34   HC   C3   HC     90.000
  33   17   35   HC   C3   HC    179.974
  34   17   35   HC   C3   HC     90.000
  13   18   36   C3   C3   HC     90.001
  13   18   37   C3   C3   HC    179.974
  13   18   38   C3   C3   HC     90.004
  36   18   37   HC   C3   HC     89.995
  36   18   38   HC   C3   HC    179.974
  37   18   38   HC   C3   HC     90.000
   1   19   39   S3   C3   HC     89.996
   1   19   40   S3   C3   HC    179.974
   1   19   41   S3   C3   HC     90.004
  39   19   40   HC   C3   HC     90.000
  39   19   41   HC   C3   HC    179.974
  40   19   41   HC   C3   HC     90.000


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