Geometry & MOs

Info

ID:	424168
PubChem CID:	135121598
Reduced:	ClO6N7C18H26 (1)
Stoich.:	AB6C7D18E26 (1)
Weight, g/mol:	420.12224
ΔH_f, kcal/mol:	-124.06
Dipole, Da:	3.41
IP(EA), eV:	-9.97(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

naphthalen-2-yl-[2-[(E)-(4-nitrophenyl)methylideneamino]benzimidazol-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N[N+](=O)[O-])C(=O)NO)NC(=O)C1=CC=CC=C1Cl

DOS

IR

Vibrations