SMILES:n1c(sc(c1C)C)CC(C)C	

FORMULA: C9H15NS
MASS: 169.2871
EXACT MASS: 169.0925205
INTERATOMIC DISTANCES

              N   1      C   2      S   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.4270     0.0000 
   S   3    2.3085     1.4381     0.0000 
   C   4    1.4250     2.3052     2.2930     0.0000 
   C   5    2.3012     2.3042     1.4084     1.4164     0.0000 
   C   6    2.5426     1.4283     2.5628     3.6897     3.6906     0.0000 
   C   7    2.5605     3.7089     3.6915     1.4460     2.5461     5.0405 
   C   8    3.7131     3.7134     2.5428     2.5604     1.4547     5.0458 
   C   9    2.9848     2.4786     3.8419     4.3701     4.7556     1.4312 
   C  10    4.4235     3.7965     5.0524     5.8020     6.1003     2.4917 
   C  11    2.6095     2.8496     4.2807     4.0134     4.8080     2.4721 

              C   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    3.1175     0.0000 
   C   9    5.5215     6.1859     0.0000 
   C  10    6.9581     7.5008     1.4389     0.0000 
   C  11    4.8679     6.2580     1.4345     2.4920     0.0000 



ATOMIC CHARGES
   N   1   -0.2473496422
   C   2    0.0875141838
   S   3   -0.0754881552
   C   4    0.0615297914
   C   5    0.0222331046
   C   6    0.0525400576
   C   7    0.0522902973
   C   8    0.0394431851
   C   9    0.0064568268
   C  10    0.0004151755
   C  11    0.0004151755


BOND ANGLES
   3    5    4   S2  Car  Car    108.531
   5    4    1  Car  Car  Nar    108.170
   4    5    3  Car  Car   S2    108.531
   5    3    2  Car   S2  Car    108.089


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


CHIRAL ATOMS
   C     9 is chiral: counterclockwise