Geometry & MOs

Info

ID:	79362
PubChem CID:	49748255
Reduced:	SF2N2O3C19H20 (1)
Stoich.:	AB2C2D3E19F20 (1)
Weight, g/mol:	442.00205
ΔH_f, kcal/mol:	-183.76
Dipole, Da:	6.87
IP(EA), eV:	-8.54(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCCC2=C1C=C(C=C2)NS(=O)(=O)C3=CC(=CC(=C3)F)F

DOS

IR

Vibrations