Geometry & MOs

Info

ID:

220017

PubChem CID:

85165148

Reduced:

O10C35H52 (1)

Stoich.:

A10B35C52 (1)

Weight, g/mol:

632.40769

ΔHf, kcal/mol:

-442.33

Dipole, Da:

4.33

IP(EA), eV:

 -9.17(1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(4-ethoxy-3-hydroxybenzoyl)-4-hydroxy-8,8-dimethyl-1,7-bis(3-methylbut-2-enyl)-5-(5-methyl-2-prop-1-en-2-ylhex-5-enyl)bicyclo[3.3.1]nonane-2,9-dione

Drug info:

PubChemData

Smile

CC1CC2(C3C(O3)(C(O2)O)C)OC4C1C5(CCC67CC68C(CC=C7C5(C4)C)C(C(CC8O)OC9C(C(C(CO9)O)O)O)(C)C)C

DOS

IR

Vibrations