Geometry & MOs

Info

ID:	79412
PubChem CID:	49748504
Reduced:	NSF2O2H9C11 (2)
Stoich.:	ABC2D2E9F11 (2)
Weight, g/mol:	516.155278
ΔH_f, kcal/mol:	-296.29
Dipole, Da:	8.3
IP(EA), eV:	-8.8(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2,3,4,5,6-pentamethylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1CC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)N(C1)S(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations