Geometry & MOs

Info

ID:

45151

PubChem CID:

10508497

Reduced:

SiF3O6C36H41 (1)

Stoich.:

AB3C6D36E41 (1)

Weight, g/mol:

654.434298

ΔHf, kcal/mol:

-359.29

Dipole, Da:

3.23

IP(EA), eV:

 -8.99(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4S,5S,6R)-2-[[(1S,2R,3R,5S,8R,9S,10R,13R,14R,17S)-17-[(E,2R)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-1,2-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C[C@H](C#CCOC(=O)C)[C@H](CCO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)OC(=O)[C@](C3=CC=CC=C3)(C(F)(F)F)OC

DOS

IR

Vibrations