Geometry & MOs

Info

ID:	158205
PubChem CID:	56463157
Reduced:	SF2N3O5H13C19 (1)
Stoich.:	AB2C3D5E13F19 (1)
Weight, g/mol:	414.099791
ΔH_f, kcal/mol:	-202.63
Dipole, Da:	3.24
IP(EA), eV:	-8.98(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(3-carbamoylpyrazol-1-yl)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)F)C(=O)O

DOS

IR

Vibrations