Geometry & MOs

Info

ID:	292967
PubChem CID:	117367211
Reduced:	F2O4C11H12 (1)
Stoich.:	A2B4C11D12 (1)
Weight, g/mol:	245.999823
ΔH_f, kcal/mol:	-243.55
Dipole, Da:	1.09
IP(EA), eV:	-9.99(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=C(C(=CC(=C1)F)F)OC)O

DOS

IR

Vibrations