Geometry & MOs

Info

ID:

341780

PubChem CID:

127264473

Reduced:

Si2O4C29H56 (1)

Stoich.:

A2B4C29D56 (1)

Weight, g/mol:

414.222636

ΔHf, kcal/mol:

-351.85

Dipole, Da:

4.79

IP(EA), eV:

 -8.87(0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-3-oxo-5-phenylpent-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

Drug info:

PubChemData

Smile

CCCCC(C)C[C@@H](/C=C/[C@@H]1[C@H](C[C@@H]2[C@H]1CC(=O)O2)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations