Geometry & MOs

Info

ID:	170097
PubChem CID:	75196530
Reduced:	BrNO6H16C20 (1)
Stoich.:	ABC6D16E20 (1)
Weight, g/mol:	372.978726
ΔH_f, kcal/mol:	-138.05
Dipole, Da:	8.0
IP(EA), eV:	-9.51(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-3-(3,4-difluorophenyl)sulfonyl-6-fluoro-3H-quinolin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)OCC(=NO)C3=CC=C(C=C3)Br

DOS

IR

Vibrations