Geometry & MOs

Info

ID:	170118
PubChem CID:	75198499
Reduced:	FNO3H18C19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	435.198048
ΔH_f, kcal/mol:	-98.55
Dipole, Da:	4.45
IP(EA), eV:	-8.86(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-oxo-6-(4-phenylpiperidin-1-yl)hexyl]-2-sulfanylidene-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

CCN(CC1=CC(=CC=C1)F)C(=O)C=CC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations