Geometry & MOs

Info

ID:

127919

PubChem CID:

51022981

Reduced:

SSiO9C33H48 (1)

Stoich.:

ABC9D33E48 (1)

Weight, g/mol:

840.450736

ΔHf, kcal/mol:

-451.38

Dipole, Da:

2.59

IP(EA), eV:

 -8.89(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S)-5-hydroxy-2-[(1S,2S,5'S,6R,9S,12S,13R,14R,16R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@]23C[C@@H]1CC[C@@H]2[C@@]45CC[C@@H]([C@]([C@@H]4[C@H]3C(=O)OC)(C(=O)O5)COCC6=CC=CC=C6)OS(=O)(=O)C

DOS

IR

Vibrations