Geometry & MOs

Info

ID:	72693
PubChem CID:	48416446
Reduced:	FO3N4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	413.152161
ΔH_f, kcal/mol:	-152.07
Dipole, Da:	3.66
IP(EA), eV:	-8.9(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2CC(=O)N(C2)C3=CC=CC=C3F)N4CCNC4=O

DOS

IR

Vibrations