Geometry & MOs

Info

ID:	62004
PubChem CID:	26716874
Reduced:	SN4O6H16C21 (1)
Stoich.:	AB4C6D16E21 (1)
Weight, g/mol:	338.13789
ΔH_f, kcal/mol:	-51.74
Dipole, Da:	5.94
IP(EA), eV:	-9.72(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-N-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)C#N

DOS

IR

Vibrations