Geometry & MOs

Info

ID:	337913
PubChem CID:	127258536
Reduced:	SO3C11H22 (1)
Stoich.:	AB3C11D22 (1)
Weight, g/mol:	220.113316
ΔH_f, kcal/mol:	-173.51
Dipole, Da:	1.82
IP(EA), eV:	-8.59(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxy-4-methylsulfanylpentyl) butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC(CC(CC)SC)O

DOS

IR

Vibrations