Geometry & MOs

Info

ID:

15464

PubChem CID:

442284

Reduced:

O3C10H11 (2)

Stoich.:

A3B10C11 (2)

Weight, g/mol:

358.141638

ΔHf, kcal/mol:

-202.53

Dipole, Da:

6.79

IP(EA), eV:

 -10.23(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3aS,5S,5aS,8aR,9S,9aS)-5,8a-dimethyl-1-methylidene-2,4,8-trioxo-5,5a,9,9a-tetrahydro-3aH-azuleno[6,5-b]furan-9-yl] 3-methylbut-2-enoate

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]2C=CC(=O)[C@]2([C@H]([C@H]3[C@@H](C1=O)OC(=O)C3=C)OC(=O)C=C(C)C)C

DOS

IR

Vibrations