Geometry & MOs

Info

ID:	337912
PubChem CID:	127258535
Reduced:	SO3C9H18 (1)
Stoich.:	AB3C9D18 (1)
Weight, g/mol:	234.128966
ΔH_f, kcal/mol:	-161.89
Dipole, Da:	2.01
IP(EA), eV:	-8.62(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxy-4-methylsulfanylhexyl) butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC(CCSC)O

DOS

IR

Vibrations