Geometry & MOs

Info

ID:

382348

PubChem CID:

134973440

Reduced:

SN2O17C34H38 (1)

Stoich.:

AB2C17D34E38 (1)

Weight, g/mol:

652.167321

ΔHf, kcal/mol:

-679.41

Dipole, Da:

6.11

IP(EA), eV:

 -9.66(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@H](C(C([C@@H](O1)SC2=CC(=C(C=C2)C#N)C#N)OC(=O)C)OC(=O)C)O[C@H]3C(C([C@H](C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations