Geometry & MOs

Info

ID:	293745
PubChem CID:	117399283
Reduced:	SO5C11H14 (1)
Stoich.:	AB5C11D14 (1)
Weight, g/mol:	258.056195
ΔH_f, kcal/mol:	-216.31
Dipole, Da:	3.01
IP(EA), eV:	-9.53(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-hydroxy-4-methylsulfonylphenyl)butanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations