Geometry & MOs

Info

ID:

82064

PubChem CID:

49855549

Reduced:

Si3O10C63H100 (1)

Stoich.:

A3B10C63D100 (1)

Weight, g/mol:

1072.631129

ΔHf, kcal/mol:

-583.69

Dipole, Da:

5.73

IP(EA), eV:

 -8.38(0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C[C@@H]([C@H]1[C@@H](C[C@H](O1)[C@@H]2[C@@H](OC(O2)(C)C)C=C)OC(=O)[C@@H](C)[C@@H]([C@@H]([C@@H](C)[C@H](C)C=C)OCC3=CC=C(C=C3)OC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C

DOS

IR

Vibrations