Geometry & MOs

Info

ID:

17396

PubChem CID:

495731

Reduced:

O5C13H16 (2)

Stoich.:

A5B13C16 (2)

Weight, g/mol:

504.199547

ΔHf, kcal/mol:

-420.4

Dipole, Da:

5.43

IP(EA), eV:

 -9.87(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8-acetyloxy-6-methyl-3,9-dimethylidene-2-oxo-4,6a,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl) 2,3-diacetyloxy-2-methylbutanoate

Drug info:

PubChemData

Smile

CC1=CC(C2C(C3C1CC(C3=C)OC(=O)C)OC(=O)C2=C)OC(=O)C(C)(C(C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations