Geometry & MOs

Info

ID:	176174
PubChem CID:	76004390
Reduced:	N2O6C37H52 (1)
Stoich.:	A2B6C37D52 (1)
Weight, g/mol:	272.036797
ΔH_f, kcal/mol:	-272.65
Dipole, Da:	4.4
IP(EA), eV:	-8.81(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-nitro-1H-benzimidazol-2-yl)-1-thiophen-2-ylmethanimine

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1CCC23CC24C(CCC3C1(C)C(=O)O)C5(CC(C(C5(CC4=O)C)C(C)N(C)C)OC(=O)C6=CC=CC=C6)C

DOS

IR

Vibrations