Geometry & MOs

Info

ID:

341781

PubChem CID:

127264474

Reduced:

SiO4C24H34 (1)

Stoich.:

AB4C24D34 (1)

Weight, g/mol:

416.238286

ΔHf, kcal/mol:

-219.85

Dipole, Da:

3.27

IP(EA), eV:

 -9.06(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2[C@@H]([C@H]1/C=C/C(=O)CCC3=CC=CC=C3)CC(=O)O2

DOS

IR

Vibrations