Geometry & MOs

Info

ID:	57650
PubChem CID:	22429968
Reduced:	ClN3O3H26C31 (1)
Stoich.:	AB3C3D26E31 (1)
Weight, g/mol:	523.166269
ΔH_f, kcal/mol:	-49.34
Dipole, Da:	3.39
IP(EA), eV:	-9.16(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4N(C3=O)CC5=CC=C(C=C5)Cl

DOS

IR

Vibrations