Geometry & MOs

Info

ID:

169331

PubChem CID:

75090056

Reduced:

O9C34H38 (1)

Stoich.:

A9B34C38 (1)

Weight, g/mol:

648.257062

ΔHf, kcal/mol:

-338.09

Dipole, Da:

5.06

IP(EA), eV:

 -9.92(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(2'-acetyloxy-2',6,9,11'-tetramethyl-6'-methylidene-2,7,7'-trioxospiro[4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-3,15'-8-oxatetracyclo[9.2.2.01,10.05,9]pentadec-12-ene]-4-yl)oxy-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1=C2C(C3C(C(C1)OC(=O)C)C4(CC56C=CC4(C5C7C(CCC6(C)OC(=O)C)C(=C)C(=O)O7)C)C(=O)O3)C(=CC2=O)C

DOS

IR

Vibrations