Geometry & MOs

Info

ID:

341777

PubChem CID:

127264470

Reduced:

Si2O5C35H66 (1)

Stoich.:

A2B5C35D66 (1)

Weight, g/mol:

562.311451

ΔHf, kcal/mol:

-395.21

Dipole, Da:

3.65

IP(EA), eV:

 -8.84(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3aS,4S,5S,6aR)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate

Drug info:

PubChemData

Smile

CCCC[C@H](C)C[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCC/C=C/C(=O)OC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations