Geometry & MOs

Info

ID:	249542
PubChem CID:	103090359
Reduced:	SO3C12H24 (1)
Stoich.:	AB3C12D24 (1)
Weight, g/mol:	220.113316
ΔH_f, kcal/mol:	-173.23
Dipole, Da:	2.23
IP(EA), eV:	-8.58(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-6-methylsulfanyl-2-propylhexanoic acid

Drug info:

PubChemData

Smile

CCCCC(C(CCCSC)O)C(=O)OC

DOS

IR

Vibrations