Geometry & MOs

Info

ID:	182562
PubChem CID:	76907259
Reduced:	ClNSO4C14H18 (1)
Stoich.:	ABCD4E14F18 (1)
Weight, g/mol:	293.047027
ΔH_f, kcal/mol:	-148.72
Dipole, Da:	2.87
IP(EA), eV:	-10.03(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1H-pyrazol-4-ylsulfamoyl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCCC(C)NS(=O)(=O)C1=C(C=C(C=C1)C=CC(=O)O)Cl

DOS

IR

Vibrations