Geometry & MOs

Info

ID:

48735

PubChem CID:

11528278

Reduced:

NSi4O16C68H119 (1)

Stoich.:

AB4C16D68E119 (1)

Weight, g/mol:

1332.668681

ΔHf, kcal/mol:

-891.64

Dipole, Da:

6.52

IP(EA), eV:

 -8.66(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4S,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-3,5-bis[[(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxy]oxan-4-yl] 4-oxopentanoate

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)O[C@H]1CO[C@H]([C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O[Si](CC)(CC)CC)O[Si](CC)(CC)CC)OC(=O)C3=CC=C(C=C3)OC)OC(=O)C)O[C@H]4C[C@H]5[C@@H]6CC=C7C[C@H](CC[C@@]7([C@H]6CC[C@@]5([C@]4([C@H](C)C(=O)N(C)OC)O)C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations