Geometry & MOs

Info

ID:	249541
PubChem CID:	103090350
Reduced:	SO3C8H16 (1)
Stoich.:	AB3C8D16 (1)
Weight, g/mol:	248.144616
ΔH_f, kcal/mol:	-160.3
Dipole, Da:	5.37
IP(EA), eV:	-8.78(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations