Geometry & MOs

Info

ID:

235390

PubChem CID:

92310324

Reduced:

O3C11H15 (2)

Stoich.:

A3B11C15 (2)

Weight, g/mol:

306.146724

ΔHf, kcal/mol:

-258.37

Dipole, Da:

1.86

IP(EA), eV:

 -10.39(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3aR,5aS,6S,8R,8aR,9aR)-8-hydroxy-5,8-dimethyl-1-methylidene-2-oxo-5a,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CCC(=O)C[C@@H](CCC3=O)O

DOS

IR

Vibrations