Geometry & MOs

Info

ID:	57652
PubChem CID:	22429970
Reduced:	FN3O3H26C31 (1)
Stoich.:	AB3C3D26E31 (1)
Weight, g/mol:	503.220892
ΔH_f, kcal/mol:	-86.04
Dipole, Da:	7.37
IP(EA), eV:	-9.24(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methylphenyl)methyl]-4-[[1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]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=CC=C5F

DOS

IR

Vibrations