Geometry & MOs

Info

ID:	292747
PubChem CID:	117357945
Reduced:	SO4C11H14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	242.06128
ΔH_f, kcal/mol:	-157.54
Dipole, Da:	7.73
IP(EA), eV:	-8.76(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-5-methylsulfonylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1SC)C(C(=O)O)O)OC

DOS

IR

Vibrations