Geometry & MOs

Info

ID:	235523
PubChem CID:	92709918
Reduced:	ClO2N4H19C24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	459.109817
ΔH_f, kcal/mol:	15.11
Dipole, Da:	2.53
IP(EA), eV:	-8.7(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-N-(2-chlorophenyl)-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C([C@@H](N2C3=CC=CC=C3N=C2N1)C4=CC(=CC=C4)O)C(=O)NC5=CC=CC=C5Cl

DOS

IR

Vibrations