Geometry & MOs

Info

ID:	55454
PubChem CID:	17395416
Reduced:	ON2H9C10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	356.094312
ΔH_f, kcal/mol:	38.04
Dipole, Da:	6.87
IP(EA), eV:	-9.29(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfanyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCCC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations