Geometry & MOs

Info

ID:	320658
PubChem CID:	126662419
Reduced:	FNSO6C21H24 (1)
Stoich.:	ABCD6E21F24 (1)
Weight, g/mol:	432.95951
ΔH_f, kcal/mol:	-267.9
Dipole, Da:	3.66
IP(EA), eV:	-8.67(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroquinolin-4-one

Drug info:

PubChemData

Smile

CC(C)(CC1CC2=C(C=C(C=C2)O)N(C1)S(=O)(=O)C3=CC(=C(C=C3)F)OC)C(=O)O

DOS

IR

Vibrations