Geometry & MOs

Info

ID:

11123

PubChem CID:

111284

Reduced:

N2O17C28H40 (1)

Stoich.:

A2B17C28D40 (1)

Weight, g/mol:

676.232698

ΔHf, kcal/mol:

-793.46

Dipole, Da:

7.96

IP(EA), eV:

 -10.0(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4R,5R,6R)-5-acetamido-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4,6-diacetyloxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2OC(=O)C)NC(=O)C)OC(=O)C)COC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations