Geometry & MOs

Info

ID:

299181

PubChem CID:

117675097

Reduced:

O9H16F20C23 (1)

Stoich.:

A9B16C20D23 (1)

Weight, g/mol:

468.184291

ΔHf, kcal/mol:

-1364.69

Dipole, Da:

4.32

IP(EA), eV:

-11.47(-1.02)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(3S,5S,6S)-2-(acetyloxymethyl)-6-[(3S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] 3-hydroxybutanoate

Drug info:

PubChemData

Smile

C=CC(=O)OCC(C(F)(F)F)(OC(C(C(OC(COC(=O)C=C)(C(F)(F)F)F)(F)F)(C(OC(COC(=O)C=C)(C(F)(F)F)F)(F)F)C(F)(F)F)F)F

DOS

IR

Vibrations