Geometry & MOs

Info

ID:	6108
PubChem CID:	67060
Reduced:	SN2O4C10H10 (1)
Stoich.:	AB2C4D10E10 (1)
Weight, g/mol:	254.036128
ΔH_f, kcal/mol:	-111.26
Dipole, Da:	8.75
IP(EA), eV:	-9.18(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1)C2=CC(=CC=C2)S(=O)(=O)O

DOS

IR

Vibrations