Geometry & MOs

Info

ID:

393901

PubChem CID:

135021928

Reduced:

O13C45H82 (1)

Stoich.:

A13B45C82 (1)

Weight, g/mol:

762.512942

ΔHf, kcal/mol:

-709.38

Dipole, Da:

3.08

IP(EA), eV:

 -9.51(0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,6R)-3,4,5-trihydroxy-6-[(2R,5S)-3,4,5-trihydroxy-6-(tetradecanoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl tetradecanoate

Drug info:

PubChemData

Smile

CCCCCCCCC/C=C\CCCCCCC(=O)OCC1[C@H](C(C([C@H](O1)O[C@@H]2C(C([C@@H](C(O2)COC(=O)CCCCCCCCCCCC(C)C)O)O)O)O)O)O

DOS

IR

Vibrations