Geometry & MOs

Info

ID:	139005
PubChem CID:	52456799
Reduced:	NSO3C16H17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	317.108565
ΔH_f, kcal/mol:	-94.12
Dipole, Da:	6.35
IP(EA), eV:	-9.75(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)sulfonyl-3,5-dimethylbenzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=CC=C2C

DOS

IR

Vibrations