Geometry & MOs

Info

ID:	302200
PubChem CID:	124360337
Reduced:	SN3O3C24H27 (1)
Stoich.:	AB3C3D24E27 (1)
Weight, g/mol:	335.163377
ΔH_f, kcal/mol:	-96.92
Dipole, Da:	0.96
IP(EA), eV:	-9.22(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)[C@H](C)NC(=O)[C@H]2C(S[C@@H]3N2C(=O)C4=CC=CC=C34)(C)C

DOS

IR

Vibrations