Geometry & MOs

Info

ID:

169339

PubChem CID:

75090079

Reduced:

ClO5C30H33 (1)

Stoich.:

AB5C30D33 (1)

Weight, g/mol:

532.246104

ΔHf, kcal/mol:

-176.36

Dipole, Da:

6.31

IP(EA), eV:

 -9.86(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(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]-2'-yl) acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations