Geometry & MOs

Info

ID:	294160
PubChem CID:	117428948
Reduced:	SO5C12H14 (1)
Stoich.:	AB5C12D14 (1)
Weight, g/mol:	270.09258
ΔH_f, kcal/mol:	-181.47
Dipole, Da:	3.83
IP(EA), eV:	-8.5(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,5-dimethoxy-2-methylsulfanylphenyl)-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC2=C(C=C1OC)SCO2)O

DOS

IR

Vibrations