Geometry & MOs

Info

ID:	228871
PubChem CID:	87566024
Reduced:	O6C13H28 (1)
Stoich.:	A6B13C28 (1)
Weight, g/mol:	262.141638
ΔH_f, kcal/mol:	-311.25
Dipole, Da:	3.22
IP(EA), eV:	-10.03(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[(2S)-1-hydroxy-3-prop-2-enoxypropan-2-yl]oxyhex-5-ene-1,2,4-triol

Drug info:

PubChemData

Smile

COC(=O)CCCO.C(CCOCCCCO)CO

DOS

IR

Vibrations