Geometry & MOs

Info

ID:	165774
PubChem CID:	74596791
Reduced:	SN2O3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	436.156912
ΔH_f, kcal/mol:	-98.55
Dipole, Da:	3.94
IP(EA), eV:	-9.36(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-3-(2-propan-2-ylphenyl)quinazolin-4-one

Drug info:

PubChemData

Smile

C1CCC2C(C1)CC(NC2=O)C(=O)OCC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations