Geometry & MOs

Info

ID:	158381
PubChem CID:	56463543
Reduced:	FS2N4O5H17C19 (1)
Stoich.:	AB2C4D5E17F19 (1)
Weight, g/mol:	416.079055
ΔH_f, kcal/mol:	-149.41
Dipole, Da:	4.5
IP(EA), eV:	-9.36(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-(3-carbamoylpyrazol-1-yl)phenyl]sulfamoyl]-2-hydroxy-4-methylbenzoic acid

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=C(C=CC(=C2)F)NC(=O)C3=CC=CC=N3

DOS

IR

Vibrations