Geometry & MOs

Info

ID:	173168
PubChem CID:	75605385
Reduced:	SO3N4C17H20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	369.128883
ΔH_f, kcal/mol:	-61.68
Dipole, Da:	2.41
IP(EA), eV:	-9.44(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3H-quinolin-4-one

Drug info:

PubChemData

Smile

C1COCCN1C(=O)NC(CC2=CC=CC=C2)C(=O)NC3=NC=CS3

DOS

IR

Vibrations