Geometry & MOs

Info

ID:

83373

PubChem CID:

49857508

Reduced:

O3Si3C44H84 (1)

Stoich.:

A3B3C44D84 (1)

Weight, g/mol:

744.572826

ΔHf, kcal/mol:

-380.13

Dipole, Da:

1.8

IP(EA), eV:

 -8.71(0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,6R)-6-[(1R,3aS,4E,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]heptan-2-yl]oxy-tert-butyl-dimethylsilane

Drug info:

PubChemData

Smile

C[C@H](CCC[C@H](C)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C

DOS

IR

Vibrations