Geometry & MOs

Info

ID:	134074
PubChem CID:	51636929
Reduced:	N4O7C21H22 (1)
Stoich.:	A4B7C21D22 (1)
Weight, g/mol:	438.172562
ΔH_f, kcal/mol:	-156.73
Dipole, Da:	8.29
IP(EA), eV:	-8.62(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2S)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]amino]benzamide

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C(=O)N1)CC(=O)NCC2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations