Geometry & MOs

Info

ID:

382347

PubChem CID:

134973439

Reduced:

SO17C26H36 (1)

Stoich.:

AB17C26D36 (1)

Weight, g/mol:

778.189119

ΔHf, kcal/mol:

-771.31

Dipole, Da:

5.55

IP(EA), eV:

 -9.49(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations