Geometry & MOs

Info

ID:	293744
PubChem CID:	117398976
Reduced:	F2O3C13H16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	258.056195
ΔH_f, kcal/mol:	-229.29
Dipole, Da:	6.66
IP(EA), eV:	-9.24(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxy-2-methylsulfonylphenyl)-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)(CC1=CC(=C(C=C1)OC)C(F)F)C(=O)O

DOS

IR

Vibrations