Geometry & MOs

Info

ID:

388872

PubChem CID:

134990495

Reduced:

SO6C32H54 (1)

Stoich.:

AB6C32D54 (1)

Weight, g/mol:

1590.77257

ΔHf, kcal/mol:

-336.89

Dipole, Da:

4.18

IP(EA), eV:

-8.76(-0.34)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

3-[(2S,3R,4S,4aS,6R,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]-1-(benzenesulfonyl)-1-[(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-[[(2R,4R,6S)-6-[2-[(2S,5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methoxyoxolan-3-yl]propan-2-ol

Drug info:

PubChemData

Smile

CCCCCCCCCCC[C@H](C[C@@H](C(C(=O)OC(C)(C)C)[S@](=O)C1=CC=C(C=C1)C)O)OC2CCCCO2

DOS

IR

Vibrations