Geometry & MOs

Info

ID:	261258
PubChem CID:	103224438
Reduced:	SO5C8H16 (1)
Stoich.:	AB5C8D16 (1)
Weight, g/mol:	258.056195
ΔH_f, kcal/mol:	-230.94
Dipole, Da:	7.13
IP(EA), eV:	-10.73(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-2-(2-methylphenyl)sulfonylpropanoic acid

Drug info:

PubChemData

Smile

CCC(C)S(=O)(=O)C(COC)C(=O)O

DOS

IR

Vibrations