Geometry & MOs

Info

ID:	79414
PubChem CID:	49748514
Reduced:	BrFN2S3O4H16C19 (1)
Stoich.:	ABC2D3E4F16G19 (1)
Weight, g/mol:	531.129791
ΔH_f, kcal/mol:	-117.4
Dipole, Da:	4.44
IP(EA), eV:	-8.45(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]sulfamoyl]phenyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

C1CC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Br)N(C1)S(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations