Geometry & MOs

Info

ID:	292731
PubChem CID:	117357501
Reduced:	SO5C10H10 (1)
Stoich.:	AB5C10D10 (1)
Weight, g/mol:	242.024895
ΔH_f, kcal/mol:	-166.15
Dipole, Da:	4.84
IP(EA), eV:	-9.48(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methyl-3-methylsulfonylphenyl)-2-oxoacetic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(C=C1S(=O)(=O)C)OCO2

DOS

IR

Vibrations