Geometry & MOs

Info

ID:	424173
PubChem CID:	135121614
Reduced:	ClO2N6H17C24 (1)
Stoich.:	AB2C6D17E24 (1)
Weight, g/mol:	436.117155
ΔH_f, kcal/mol:	78.14
Dipole, Da:	5.48
IP(EA), eV:	-9.3(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-1-[[[1-(3-nitrobenzoyl)benzimidazol-2-yl]amino]methylidene]naphthalen-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(C=C3)N4C=NC=N4)OCC(=O)NC5=CC=CC=C5Cl

DOS

IR

Vibrations