Geometry & MOs

Info

ID:	67621
PubChem CID:	46506830
Reduced:	Cl2O2N3H17C23 (1)
Stoich.:	A2B2C3D17E23 (1)
Weight, g/mol:	437.069782
ΔH_f, kcal/mol:	-13.8
Dipole, Da:	2.81
IP(EA), eV:	-8.86(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methylphenyl)-2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CN2C3=C(C=C(C=C3)Cl)C(=NC2=O)C4=CC=CC=C4)Cl

DOS

IR

Vibrations