Geometry & MOs

Info

ID:	68567
PubChem CID:	46508657
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	497.144299
ΔH_f, kcal/mol:	-36.53
Dipole, Da:	7.95
IP(EA), eV:	-9.08(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[[2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2)N(C)CC(=O)NC3=CC(=NO3)C(C)(C)C

DOS

IR

Vibrations