Geometry & MOs

Info

ID:

82065

PubChem CID:

49855550

Reduced:

Si3O10C61H96 (1)

Stoich.:

A3B10C61D96 (1)

Weight, g/mol:

832.497702

ΔHf, kcal/mol:

-589.89

Dipole, Da:

4.8

IP(EA), eV:

 -8.77(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(1S,2R,6S,7E,9R,10S,11R,12S,13S,16R,17R)-12-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-4,4,9,10,13-pentamethyl-14-oxo-3,5,15,18-tetraoxatricyclo[14.2.1.02,6]nonadec-7-en-17-yl]-2-methylbutanal

Drug info:

PubChemData

Smile

C[C@@H]1/C=C/[C@H]2[C@@H]([C@@H]3C[C@H]([C@@H](O3)[C@H](C[C@@H](C)CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(=O)[C@H]([C@@H]([C@@H]([C@H]1C)OCC6=CC=C(C=C6)OC)O[Si](C)(C)C(C)(C)C)C)OC(O2)(C)C

DOS

IR

Vibrations