Geometry & MOs

Info

ID:

127864

PubChem CID:

51020347

Reduced:

O2C15H22 (1)

Stoich.:

A2B15C22 (1)

Weight, g/mol:

1048.487909

ΔHf, kcal/mol:

-100.1

Dipole, Da:

2.0

IP(EA), eV:

 -10.48(0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(1S,2S,5'R,6R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethyl-11-oxospiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-3-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@@H]1C[C@H]2C(=O)O[C@H]3C[C@@H]4CC[C@H]3C4

DOS

IR

Vibrations