Geometry & MOs

Info

ID:	249539
PubChem CID:	103090341
Reduced:	SO3C7H14 (1)
Stoich.:	AB3C7D14 (1)
Weight, g/mol:	206.097666
ΔH_f, kcal/mol:	-154.21
Dipole, Da:	4.41
IP(EA), eV:	-8.54(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-hydroxy-2-methyl-6-methylsulfanylhexanoate

Drug info:

PubChemData

Smile

CSCCCC(CC(=O)O)O

DOS

IR

Vibrations