Geometry & MOs

Info

ID:

384306

PubChem CID:

134976732

Reduced:

Si4N7O10C47H79 (1)

Stoich.:

A4B7C10D47E79 (1)

Weight, g/mol:

946.566191

ΔHf, kcal/mol:

-520.13

Dipole, Da:

3.09

IP(EA), eV:

 -8.75(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4R,5S,6R)-3-[4-[(2S,3R,4S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-5-[2-tri(propan-2-yl)silyloxyethynyl]oxan-2-yl]buta-1,3-diynyl]-2-(hydroxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-4-ol

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O[Si](C)(C)C(C)(C)C)(C#CC#C[C@]3([C@H](O[C@H]([C@@H]3O[Si](C)(C)C(C)(C)C)N4C=NC5=C(N=CN=C54)N)CO[Si](C)(C)C(C)(C)C)O)O

DOS

IR

Vibrations