Geometry & MOs

Info

ID:	249540
PubChem CID:	103090342
Reduced:	SO3C9H18 (1)
Stoich.:	AB3C9D18 (1)
Weight, g/mol:	192.082016
ΔH_f, kcal/mol:	-160.42
Dipole, Da:	1.77
IP(EA), eV:	-8.54(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-methyl-6-methylsulfanylhexanoic acid

Drug info:

PubChemData

Smile

CC(C(CCCSC)O)C(=O)OC

DOS

IR

Vibrations