Geometry & MOs

Info

ID:	36593
PubChem CID:	8009340
Reduced:	NSO6C18H19 (1)
Stoich.:	ABC6D18E19 (1)
Weight, g/mol:	384.054419
ΔH_f, kcal/mol:	-201.75
Dipole, Da:	7.9
IP(EA), eV:	-8.97(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyanophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC3=C(C=C2)OCCCO3)C(=O)O

DOS

IR

Vibrations