Geometry & MOs

Info

ID:	158451
PubChem CID:	56463671
Reduced:	FSN4O6H13C18 (1)
Stoich.:	ABC4D6E13F18 (1)
Weight, g/mol:	443.09512
ΔH_f, kcal/mol:	-128.7
Dipole, Da:	4.4
IP(EA), eV:	-9.33(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-fluoro-2-(pyridine-2-carbonylamino)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C(=O)NC2=C(C=C(C=C2)F)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

DOS

IR

Vibrations