Geometry & MOs

Info

ID:	72629
PubChem CID:	48416377
Reduced:	O3N6C17H20 (1)
Stoich.:	A3B6C17D20 (1)
Weight, g/mol:	401.152161
ΔH_f, kcal/mol:	-53.66
Dipole, Da:	3.72
IP(EA), eV:	-9.35(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CN2C(=O)C3=CC=CC=C3N=N2)N4CCNC4=O

DOS

IR

Vibrations