SMILES:S(=O)(=O)(c1cc([N+](=O)[O-])c(cc1)C)Cl	

FORMULA: C7H6ClNO4S
MASS: 235.6448
EXACT MASS: 234.9706064
INTERATOMIC DISTANCES

              S   1      N   2      C   3      C   4      C   5      O   6
              ------------------------------------------------------------------
   S   1    0.0000 
   N   2    4.9587     0.0000 
   C   3    3.7887     1.4298     0.0000 
   C   4    2.4831     2.4756     1.4279     0.0000 
   C   5    1.4318     3.7849     2.4790     1.4304     0.0000 
   O   6    1.4314     4.3018     3.4611     2.0368     1.9328     0.0000 
   O   7    1.4328     6.0601     4.7464     3.6417     2.2777     2.8527 
   O   8    5.1587     1.4323     2.4774     2.8590     4.2893     4.1440 
   O   9    6.2495     1.4396     2.4879     3.7928     4.9669     5.7096 
   C  10    4.2906     2.4803     1.4310     2.4723     2.8587     4.4045 
  Cl  11    1.4342     6.1298     5.0916     3.7014     2.8553     1.9389 
   C  12    2.4802     4.2893     2.8595     2.4750     1.4323     3.3456 
   C  13    3.7904     3.7888     2.4827     2.8633     2.4840     4.3672 
   C  14    5.7277     2.8640     2.4808     3.7846     4.2959     5.7828 

              O   7      O   8      O   9      C  10     Cl  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   O   8    6.4524     0.0000 
   O   9    7.2312     2.4855     0.0000 
   C  10    4.8665     3.7873     2.8751     0.0000 
  Cl  11    1.9294     6.0796     7.4906     5.7091     0.0000 
   C  12    2.5304     5.1550     5.1662     2.4708     3.8588     0.0000 
   C  13    3.9595     4.9601     4.3042     1.4292     5.2109     1.4308 
   C  14    6.2580     4.2963     2.4857     1.4371     7.1452     3.7846 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    2.4796     0.0000 



ATOMIC CHARGES
   S   1    0.0810735056
   N   2    0.0806227016
   C   3    0.2872854629
   C   4    0.0946520738
   C   5    0.1283632728
   O   6   -0.1529072671
   O   7   -0.1529072671
   O   8   -0.5760152229
   O   9    0.0414711617
   C  10    0.0475455301
  Cl  11    0.0603229802
   C  12    0.0198590797
   C  13    0.0031665113
   C  14    0.0374674773


BOND ANGLES
  10    3    4  Car  Car  Car    119.714
   3    4    5  Car  Car  Car    120.294
   4    3   10  Car  Car  Car    119.714
   3   10   13  Car  Car  Car    120.460


TORSION ANGLES
   8    2    3    4      0.026
   8    2    3   10    179.974
   9    2    3    4    179.974
   9    2    3   10      0.026
   2    3    4    5    179.974
  10    3    4    5      0.026
   3    4    5    1    179.974
   3    4    5   12      0.026
   4    5    1    6      0.026
   4    5    1    7    179.974
   4    5    1   11      0.026
  12    5    1    6    179.974
  12    5    1    7      0.026
  12    5    1   11    179.974
  14   10   13   12    179.974
   3   10   13   12      0.026
  13   12    5    4      0.026
  13   12    5    1    179.974
  10   13   12    5      0.026
   2    3   10   13    179.974
   2    3   10   14      0.026
   4    3   10   13      0.026
   4    3   10   14    179.974