Geometry & MOs

Info

ID:

382557

PubChem CID:

134973795

Reduced:

O7Si7C20H47 (1)

Stoich.:

A7B7C20D47 (1)

Weight, g/mol:

624.246175

ΔHf, kcal/mol:

-516.82

Dipole, Da:

4.57

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.760022

Charge, e:

 0

Chem-info

IUPAC name:

(3aR,5S,6S,6aR)-5-[(6S)-3,3-dimethyl-2,2,4,4-tetrakis(trimethylsilyl)-1,5,2,3,4-dioxatrisilepan-6-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@@H]3CO[Si](O[Si]([Si](O3)([Si])[Si](C)(C)C)(C)C)([Si](C)(C)C)[Si](C)(C)C)O)C

DOS

IR

Vibrations