Geometry & MOs

Info

ID:

382346

PubChem CID:

134973436

Reduced:

O7C17H26 (3)

Stoich.:

A7B17C26 (3)

Weight, g/mol:

652.167321

ΔHf, kcal/mol:

-957.87

Dipole, Da:

7.62

IP(EA), eV:

 -9.98(0.39)

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-sulfanyloxan-3-yl]oxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1(OCC(CO1)(C)C(=O)OCC(C)(COC(=O)C2(COC(OC2)(C)C)C)C(=O)OCC(C)(COC(=O)C(C)(COC(=O)C3(COC(OC3)(C)C)C)COC(=O)C4(COC(OC4)(C)C)C)C(=O)CCC#C)C

DOS

IR

Vibrations