Geometry & MOs

Info

ID:	57649
PubChem CID:	22429616
Reduced:	ClN3O4H18C22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	523.166269
ΔH_f, kcal/mol:	-101.04
Dipole, Da:	2.17
IP(EA), eV:	-8.92(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=CO4)Cl

DOS

IR

Vibrations