Geometry & MOs

Info

ID:	293612
PubChem CID:	117394405
Reduced:	SO4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	256.07693
ΔH_f, kcal/mol:	-152.6
Dipole, Da:	3.99
IP(EA), eV:	-8.78(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC)C(C(=O)OC)O)SC

DOS

IR

Vibrations