Geometry & MOs

Info

ID:

381656

PubChem CID:

134972454

Reduced:

SO17C28H40 (1)

Stoich.:

AB17C28D40 (1)

Weight, g/mol:

878.305588

ΔHf, kcal/mol:

-777.75

Dipole, Da:

4.0

IP(EA), eV:

 -8.77(0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,6R)-4,5-diacetyloxy-6-[[(6S,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-3-[(2S,5R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCS[C@H]1C(C([C@@H](C(O1)COC(=O)C)O[C@H]2C(C([C@@H](C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations