Geometry & MOs

Info

ID:	47063
PubChem CID:	10529258
Reduced:	N3O3C31H33 (1)
Stoich.:	A3B3C31D33 (1)
Weight, g/mol:	396.138188
ΔH_f, kcal/mol:	-39.94
Dipole, Da:	2.95
IP(EA), eV:	-8.79(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)-N-(2-sulfamoylphenyl)acetamide

Drug info:

PubChemData

Smile

CCC1(C(=O)N(C2=CC=CC=C2N(C1=O)C3=CC=CC=C3)CC(=O)N(C4=CC=CC=C4)C(C)C)CC=C

DOS

IR

Vibrations