Geometry & MOs

Info

ID:

392834

PubChem CID:

135018139

Reduced:

SO17C32H40 (1)

Stoich.:

AB17C32D40 (1)

Weight, g/mol:

790.15872

ΔHf, kcal/mol:

-748.49

Dipole, Da:

4.56

IP(EA), eV:

 -8.65(-0.16)

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

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@H](C(C([C@@H](O1)SC2=CC=CC=C2)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