Geometry & MOs

Info

ID:

18083

PubChem CID:

537666

Reduced:

O9C29H40 (1)

Stoich.:

A9B29C40 (1)

Weight, g/mol:

532.267233

ΔHf, kcal/mol:

-410.19

Dipole, Da:

5.58

IP(EA), eV:

 -9.42(0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8,9-diacetyloxy-11-hydroxy-7,7,10,14,17,17-hexamethyl-16,18-dioxapentacyclo[10.6.0.01,15.05,11.06,8]octadeca-3,13-dien-3-yl)methyl acetate

Drug info:

PubChemData

Smile

CC1C(C2(C(C2(C)C)C3C1(C4C=C(C5C4(CC(=C3)COC(=O)C)OC(O5)(C)C)C)O)OC(=O)C)OC(=O)C

DOS

IR

Vibrations