Geometry & MOs

Info

ID:	337911
PubChem CID:	127258534
Reduced:	SO3C10H20 (1)
Stoich.:	AB3C10D20 (1)
Weight, g/mol:	206.097666
ΔH_f, kcal/mol:	-166.52
Dipole, Da:	3.51
IP(EA), eV:	-8.6(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxy-4-methylsulfanylbutyl) butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC(C(C)CSC)O

DOS

IR

Vibrations