SMILES:c1(nccs1)OCC	

FORMULA: C5H7NOS
MASS: 129.1802
EXACT MASS: 129.0248348
INTERATOMIC DISTANCES

              C   1      N   2      S   3      C   4      C   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.6875     0.0000 
   S   3    0.6796     1.1851     0.0000 
   C   4    1.3650     1.1792     1.1872     0.0000 
   C   5    1.1792     1.3608     0.6875     0.6792     0.0000 
   O   6    0.6868     1.1892     1.1833     2.0518     1.8092     0.0000 
   C   7    1.1856     1.8132     1.3664     2.4664     2.0539     0.6833 
   C   8    1.8105     2.3727     2.0497     3.1338     2.7371     1.1835 

              C   7      C   8
              ----------------------
   C   7    0.0000 
   C   8    0.6833     0.0000 



ATOMIC CHARGES
   C   1    0.2582263956
   N   2   -0.2037526446
   S   3   -0.0280796016
   C   4    0.1096875121
   C   5    0.0606116250
   O   6   -0.4556890731
   C   7    0.2077535243
   C   8    0.0512422623


BOND ANGLES
   5    4    2  Car  Car  Nar     90.000
   4    2    1  Car  Nar  Car     90.000
   2    4    5  Nar  Car  Car     90.000
   4    5    3  Car  Car   S2    120.605


TORSION ANGLES
   4    2    1    3      0.026
   4    2    1    6    179.974
   5    3    1    2      0.026
   5    3    1    6    179.974
   5    4    2    1      0.026
   4    5    3    1      0.026
   7    6    1    2    179.974
   7    6    1    3      0.026
   8    7    6    1    179.974
   2    4    5    3      0.026