Sign In Join Free

Products Information

Vamidothion
Vamidothion ID: API-45478
CAS:2275-23-2
Supplier:APIchem

Get a quote


SMILES:S(C(C)C(=O)NC)CCSP(=O)(OC)OC	ChemMol.com
FORMULA: C8H18NO4PS2
MASS: 287.3366
EXACT MASS: 287.0414867
INTERATOMIC DISTANCES

              S   1      S   2      P   3      O   4      O   5      O   6
              ------------------------------------------------------------------
   S   1    0.0000 
   S   2    2.6458     0.0000 
   P   3    3.4642     1.0001     0.0000 
   O   4    4.3590     2.0000     1.0000     0.0000 
   O   5    4.0577     1.4143     1.0000     1.4142     0.0000 
   O   6    2.0000     4.5826     5.2915     6.0828     5.9941     0.0000 
   O   7    3.0881     1.4142     1.0000     1.4142     2.0000     4.6981 
   N   8    2.6457     5.1961     6.0828     7.0000     6.5724     1.7320 
   C   9    1.0000     3.4641     4.3590     5.2915     4.8440     1.7320 
   C  10    1.0001     1.7320     2.6458     3.6055     3.1196     3.0000 
   C  11    1.7321     1.0000     1.7321     2.6458     2.3942     3.6055 
   C  12    1.7320     3.6055     4.5826     5.5678     4.8716     2.6457 
   C  13    1.7320     4.3589     5.1962     6.0828     5.7617     1.0000 
   C  14    3.4641     6.0828     6.9283     7.8103     7.4786     2.0000 
   C  15    5.1962     2.6458     1.7320     1.0000     1.5059     7.0000 
   C  16    3.8730     1.5060     1.7320     2.3941     1.0000     5.8706 
   H  17    0.8743     2.9435     3.8787     4.8399     4.2936     2.2901 
   H  18    1.0812     2.1829     3.1513     4.1347     3.4984     2.9560 
   H  19    1.5968     1.4155     2.4060     3.4019     2.7018     3.5888 
   H  20    2.1829     1.0813     1.4157     2.1997     2.2716     3.8981 
   H  21    1.4157     1.5967     2.1829     2.9967     2.9527     3.1102 
   H  22    2.1114     4.2047     5.1725     6.1505     5.4870     2.5121 
   H  23    2.2901     3.8242     4.8213     5.8194     4.9903     3.2380 
   H  24    1.5200     3.0148     4.0019     4.9942     4.2577     2.9083 
   H  25    2.8291     5.2330     6.1648     7.1151     6.5671     2.2901 
   H  26    3.1995     5.8449     6.6400     7.4844     7.2552     1.4956 
   H  27    4.0130     6.6486     7.4716     8.3334     8.0515     2.3716 
   H  28    3.8121     6.3723     7.2582     8.1704     7.7453     2.5558 
   H  29    4.9156     2.2884     1.5200     1.1766     0.9790     6.7943 
   H  30    5.7415     3.1408     2.2900     1.6199     1.8542     7.5792 
   H  31    5.5323     3.0875     2.1114     1.1766     2.0847     7.2530 
   H  32    3.2543     0.9790     1.5200     2.3796     1.1766     5.2511 
   H  33    3.8855     1.8543     2.2901     3.0084     1.6200     5.8789 
   H  34    4.4921     2.0847     2.1114     2.5632     1.1766     6.4902 

              O   7      N   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   N   8    5.7275     0.0000 
   C   9    4.0665     1.7320     0.0000 
   C  10    2.5036     3.4641     1.7321     0.0000 
   C  11    1.5060     4.3589     2.6458     1.0000     0.0000 
   C  12    4.5020     2.0000     1.0000     2.0000     3.0000     0.0000 
   C  13    4.7754     1.0000     1.0000     2.6458     3.4641     1.7320 
   C  14    6.4864     1.0001     2.6458     4.3590     5.1962     3.0000 
   C  15    2.3941     7.8102     6.0828     4.3589     3.4641     6.2450 
   C  16    2.6457     6.1861     4.5021     2.8754     2.4495     4.3364 
   H  17    3.6952     2.2901     0.6201     1.2347     2.2146     0.8743 
   H  18    3.1020     3.1021     1.4155     0.6200     1.5968     1.4332 
   H  19    2.5055     3.8917     2.1829     0.6199     1.0812     2.1944 
   H  20    0.9207     4.8281     3.1512     1.5967     0.6200     3.5889 
   H  21    1.6768     4.0507     2.4060     1.0813     0.6200     2.9562 
   H  22    5.0401     1.4955     1.1766     2.5559     3.5505     0.6200 
   H  23    4.8566     2.3715     1.6200     2.3716     3.3533     0.6200 
   H  24    3.9879     2.5558     1.1766     1.4956     2.4825     0.6200 
   H  25    5.9061     0.6200     1.8396     3.5191     4.4726     1.7732 
   H  26    6.1271     1.1767     2.5121     4.1518     4.9156     3.0635 
   H  27    6.9874     1.6200     3.2380     4.9340     5.7415     3.6200 
   H  28    6.8828     1.1767     2.9083     4.6403     5.5323     3.0634 
   H  29    2.3795     7.4843     5.7523     4.0203     3.1995     5.8323 
   H  30    3.0083     8.3333     6.6018     4.8707     4.0130     6.7055 
   H  31    2.5632     8.1703     6.4560     4.7546     3.8121     6.6899 
   H  32    2.2883     5.6016     3.9036     2.2579     1.8575     3.7940 
   H  33    3.1408     6.0181     4.3922     2.8922     2.6778     4.0931 
   H  34    3.0873     6.7769     5.1055     3.4937     3.0526     4.8972 

              C  13      C  14      C  15      C  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.7321     0.0000 
   C  15    6.9282     8.6603     0.0000 
   C  16    5.4773     7.1415     2.4494     0.0000 
   H  17    1.6200     3.2380     5.5843     3.9036     0.0000 
   H  18    2.4059     4.0507     4.8282     3.0909     0.8134     0.0000 
   H  19    3.1512     4.8282     4.0507     2.3263     1.6021     0.7971 
   H  20    3.8917     5.6148     3.1022     2.5786     2.7750     2.2064 
   H  21    3.1022     4.8212     3.8917     3.0676     2.1013     1.6889 
   H  22    1.5200     2.4825     6.8485     4.9556     1.3471     2.0228 
   H  23    2.2901     3.3533     6.4222     4.3475     1.4158     1.7577 
   H  24    2.1114     3.5505     5.6451     3.7174     0.6950     0.8859 
   H  25    1.4158     1.4158     7.8743     6.0930     2.2901     3.0689 
   H  26    1.5201     0.6201     8.3675     6.9964     3.1298     3.9245 
   H  27    2.2901     0.6200     9.2024     7.7394     3.8390     4.6496 
   H  28    2.1115     0.6200     8.9864     7.3363     3.4559     4.2642 
   H  29    6.6399     8.3675     0.6200     1.8575     5.2223     4.4404 
   H  30    7.4715     9.2024     0.6200     2.6777     6.0827     5.3074 
   H  31    7.2581     8.9864     0.6201     3.0526     5.9887     5.2606 
   H  32    4.8714     6.5476     2.6778     0.6201     3.3132     2.5000 
   H  33    5.3873     6.9964     3.0526     0.6201     3.7764     2.9821 
   H  34    6.0859     7.7394     2.3660     0.6200     4.5020     3.6912 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    1.6888     0.0000 
   H  21    1.4515     0.7970     0.0000 
   H  22    2.8003     4.1207     3.4425     0.0000 
   H  23    2.4188     3.9640     3.4018     0.8768     0.0000 
   H  24    1.5993     3.0901     2.5290     1.2400     0.8768     0.0000 
   H  25    3.8653     4.9904     4.2428     1.1751     2.0000     2.3825 
   H  26    4.6702     5.2851     4.4881     2.6329     3.5064     3.5506 
   H  27    5.4201     6.1338     5.3372     3.0986     3.9665     4.1685 
   H  28    5.0577     5.9908     5.2070     2.4825     3.3111     3.6572 
   H  29    3.6480     2.9355     3.6939     6.4446     5.9661     5.2218 
   H  30    4.5177     3.6870     4.4690     7.3165     6.8428     6.0964 
   H  31    4.5030     3.3762     4.1731     7.2829     6.9040     6.1022 
   H  32    1.7217     2.0575     2.4775     4.4139     3.8569     3.1742 
   H  33    2.2903     2.9287     3.2930     4.7035     4.0230     3.4861 
   H  34    2.9372     3.1359     3.6675     5.5138     4.8677     4.2815 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    1.7478     0.0000 
   H  27    2.0033     0.8768     0.0000 
   H  28    1.3127     1.2400     0.8768     0.0000 
   H  29    7.5069     8.1117     8.9275     8.6603     0.0000 
   H  30    8.3704     8.9275     9.7538     9.5099     0.8768     0.0000 
   H  31    8.2719     8.6603     9.5099     9.3422     1.2400     0.8769 
   H  32    5.5334     6.3890     7.1414     6.7595     2.1497     3.0182 
   H  33    5.8658     6.9042     7.6058     7.1415     2.4495     3.2386 
   H  34    6.6632     7.6058     8.3406     7.9195     1.7461     2.4494 

              H  31      H  32      H  33      H  34
              --------------------------------------------
   H  31    0.0000 
   H  32    3.2387     0.0000 
   H  33    3.6614     0.8769     0.0000 
   H  34    2.9861     1.2400     0.8768     0.0000 



ATOMIC CHARGES
   S   1   -0.1474948906
   S   2   -0.0403374880
   P   3    0.3907488422
   O   4   -0.3035223594
   O   5   -0.3035223594
   O   6   -0.2746292709
   O   7   -0.2458198861
   N   8   -0.3174770909
   C   9    0.0785738537
   C  10    0.0039402986
   C  11    0.0136783845
   C  12   -0.0448759928
   C  13    0.2254772521
   C  14    0.0000878894
   C  15    0.0464845770
   C  16    0.0464845770
   H  17    0.0504083595
   H  18    0.0384564493
   H  19    0.0384564493
   H  20    0.0389753763
   H  21    0.0389753763
   H  22    0.0244885020
   H  23    0.0244885020
   H  24    0.0244885020
   H  25    0.1483868188
   H  26    0.0425929312
   H  27    0.0425929312
   H  28    0.0425929312
   H  29    0.0528834224
   H  30    0.0528834224
   H  31    0.0528834224
   H  32    0.0528834224
   H  33    0.0528834224
   H  34    0.0528834224


BOND ANGLES
   9    1   10   C3   S3   C3    120.001
   3    2   11    P   S3   C3    120.001
   2    3    4   S3    P   O3    179.974
   2    3    5   S3    P   O3     90.003
   2    3    7   S3    P   O2     89.997
   4    3    5   O3    P   O3     90.000
   4    3    7   O3    P   O2     90.000
   5    3    7   O3    P   O2    179.974
   3    4   15    P   O3   C3    119.999
   3    5   16    P   O3   C3    119.999
  13    8   14   C2  Nam   C3    120.001
  13    8   25   C2  Nam   HC    120.001
  14    8   25   C3  Nam   HC    119.998
   1    9   12   S3   C3   C3    120.001
   1    9   13   S3   C3   C2    119.999
   1    9   17   S3   C3   HC     59.998
  12    9   13   C3   C3   C2    120.001
  12    9   17   C3   C3   HC     60.003
  13    9   17   C2   C3   HC    179.974
   1   10   11   S3   C3   C3    120.001
   1   10   18   S3   C3   HC     79.990
   1   10   19   S3   C3   HC    159.999
  11   10   18   C3   C3   HC    160.009
  11   10   19   C3   C3   HC     80.000
  18   10   19   HC   C3   HC     80.009
   2   11   10   S3   C3   C3    119.999
   2   11   20   S3   C3   HC     80.006
   2   11   21   S3   C3   HC    159.996
  10   11   20   C3   C3   HC    159.996
  10   11   21   C3   C3   HC     80.006
  20   11   21   HC   C3   HC     79.990
   9   12   22   C3   C3   HC     90.000
   9   12   23   C3   C3   HC    179.974
   9   12   24   C3   C3   HC     90.000
  22   12   23   HC   C3   HC     90.000
  22   12   24   HC   C3   HC    179.974
  23   12   24   HC   C3   HC     90.000
   6   13    8   O2   C2  Nam    120.001
   6   13    9   O2   C2   C3    120.001
   8   13    9  Nam   C2   C3    119.999
   8   14   26  Nam   C3   HC     90.001
   8   14   27  Nam   C3   HC    179.974
   8   14   28  Nam   C3   HC     90.004
  26   14   27   HC   C3   HC     89.995
  26   14   28   HC   C3   HC    179.974
  27   14   28   HC   C3   HC     90.000
   4   15   29   O3   C3   HC     89.999
   4   15   30   O3   C3   HC    179.974
   4   15   31   O3   C3   HC     89.996
  29   15   30   HC   C3   HC     90.000
  29   15   31   HC   C3   HC    179.974
  30   15   31   HC   C3   HC     90.005
   5   16   32   O3   C3   HC     90.004
   5   16   33   O3   C3   HC    179.974
   5   16   34   O3   C3   HC     90.001
  32   16   33   HC   C3   HC     90.000
  32   16   34   HC   C3   HC    179.974
  33   16   34   HC   C3   HC     89.995


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


CHIRAL ATOMS
  19   10   11   21    179.974