Geometry & MOs

Info

ID:	67619
PubChem CID:	46506828
Reduced:	BrClFO2N3H14C22 (1)
Stoich.:	ABCD2E3F14G22 (1)
Weight, g/mol:	437.069782
ΔH_f, kcal/mol:	-35.88
Dipole, Da:	3.96
IP(EA), eV:	-9.23(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=O)N(C3=C2C=C(C=C3)Cl)CC(=O)NC4=C(C=C(C=C4)Br)F

DOS

IR

Vibrations