Geometry & MOs

Info

ID:	261250
PubChem CID:	103224241
Reduced:	SO3C11H14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	232.113316
ΔH_f, kcal/mol:	-111.77
Dipole, Da:	6.47
IP(EA), eV:	-9.34(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-2-(3-methylcyclohexyl)sulfanylpropanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations