Geometry & MOs

Info

ID:	201327
PubChem CID:	79525399
Reduced:	NCl2O2S2H13C14 (1)
Stoich.:	AB2C2D2E13F14 (1)
Weight, g/mol:	323.085911
ΔH_f, kcal/mol:	-51.08
Dipole, Da:	7.27
IP(EA), eV:	-8.64(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-5-chlorophenyl)sulfanyl-N-(1-cyanocyclohexyl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1S(=O)(=O)CCSC2=C(C=CC(=C2)Cl)N)Cl

DOS

IR

Vibrations