Geometry & MOs

Info

ID:	243311
PubChem CID:	99218283
Reduced:	FSN2O4C19H23 (1)
Stoich.:	ABC2D4E19F23 (1)
Weight, g/mol:	415.136591
ΔH_f, kcal/mol:	-189.35
Dipole, Da:	3.92
IP(EA), eV:	-8.91(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(tert-butylsulfamoyl)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NS(=O)(=O)C1=CC=CC=C1NC(=O)CC2=CC(=C(C=C2)OC)F

DOS

IR

Vibrations