Geometry & MOs

Info

ID:	172940
PubChem CID:	75574388
Reduced:	N2O7H16C22 (1)
Stoich.:	A2B7C16D22 (1)
Weight, g/mol:	401.07939
ΔH_f, kcal/mol:	-178.09
Dipole, Da:	8.52
IP(EA), eV:	-9.79(-2.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-methyl-5-oxo-4-[(4-sulfamoylphenyl)hydrazinylidene]pyrazol-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CCN1C(=O)C(=CC2=CC=C(O2)C3=CC(=CC(=C3)C(=O)O)C(=O)O)C(=C(C1=O)C#N)C

DOS

IR

Vibrations