Geometry & MOs

Info

ID:	67839
PubChem CID:	46507278
Reduced:	O2N5C26H27 (1)
Stoich.:	A2B5C26D27 (1)
Weight, g/mol:	388.949176
ΔH_f, kcal/mol:	50.95
Dipole, Da:	2.6
IP(EA), eV:	-8.6(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-3-(3-chloro-4-fluorophenyl)sulfonyl-6-fluoro-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=NC=CN4C3=C(C(=N4)C5=CC=C(C=C5)OC)C=O

DOS

IR

Vibrations