Geometry & MOs

Info

ID:	402711
PubChem CID:	135056979
Reduced:	O3C11H24 (1)
Stoich.:	A3B11C24 (1)
Weight, g/mol:	204.082016
ΔH_f, kcal/mol:	-179.33
Dipole, Da:	3.31
IP(EA), eV:	-9.96(1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-hydroxy-2-prop-2-enylsulfanylhexanoic acid

Drug info:

PubChemData

Smile

CCCC[C@@H]([C@H](C)OC(C)OCC)O

DOS

IR

Vibrations