SMILES:CCc1nc(C)cs1	ChemMol.com

FORMULA: C6H9NS
MASS: 127.2074
EXACT MASS: 127.0455703
INTERATOMIC DISTANCES

              C   1      C   2      C   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8250     0.0000 
   C   3    1.4290     0.8250     0.0000 
   N   4    2.2082     1.4701     0.8250     0.0000 
   C   5    2.7488     2.1348     1.3349     0.8251     0.0000 
   C   6    3.5603     2.9041     2.1348     1.4702     0.8250     0.0000 
   C   7    2.5252     2.1348     1.3349     1.3349     0.8250     1.4701 
   S   8    1.7230     1.4702     0.8250     1.3349     1.3350     2.1348 

              C   7      S   8
              ----------------------
   C   7    0.0000 
   S   8    0.8251     0.0000 



ATOMIC CHARGES
   C   1    0.0072641153
   C   2    0.0525729880
   C   3    0.0878300935
   N   4   -0.2470039564
   C   5    0.0660335021
   C   6    0.0526502662
   C   7    0.0512424644
   S   8   -0.0705894731


BOND ANGLES
   8    3    4   S2  Car  Nar    108.003
   3    4    5  Car  Nar  Car    108.005
   7    5    6  Car  Car   C3    126.000
   6    5    7   C3  Car  Car    126.000
   5    7    8  Car  Car   S2    108.002
   4    3    8  Nar  Car   S2    108.003


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