Geometry & MOs

Info

ID:

381413

PubChem CID:

134972138

Reduced:

O18C27H38 (1)

Stoich.:

A18B27C38 (1)

Weight, g/mol:

938.290332

ΔHf, kcal/mol:

-808.31

Dipole, Da:

1.08

IP(EA), eV:

 -10.29(0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,6R)-4,5-diacetyloxy-6-[2-acetyloxy-2-[(2S,5R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]ethoxy]-3-[(2S,5R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@H](C(C([C@@H](O1)OCC([C@H]2C(C([C@@H](O2)OC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations