Geometry & MOs

Info

ID:	573
PubChem CID:	3013
Reduced:	OSF2N3H25C28 (1)
Stoich.:	ABC2D3E25F28 (1)
Weight, g/mol:	489.16864
ΔH_f, kcal/mol:	-40.93
Dipole, Da:	3.73
IP(EA), eV:	-9.09(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-2-sulfanylquinazolin-4-one

Drug info:

PubChemData

Smile

C1CN(CCC1=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CCN4C(=O)C5=CC=CC=C5N=C4S

DOS

IR

Vibrations