Geometry & MOs

Info

ID:

394143

PubChem CID:

135022414

Reduced:

O6C25H32 (1)

Stoich.:

A6B25C32 (1)

Weight, g/mol:

428.219889

ΔHf, kcal/mol:

-230.97

Dipole, Da:

1.59

IP(EA), eV:

 -8.03(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9R,10R,13R)-4,5,17,18-tetramethoxy-10,12,12-trimethyl-11-oxatetracyclo[13.4.0.02,7.09,13]nonadeca-1(19),2,4,6,15,17-hexaen-10-ol

Drug info:

PubChemData

Smile

C[C@]1([C@@H]2CC3=CC(=C(C=C3C4=CC(=C(C=C4C[C@H]2C(O1)(C)C)OC)OC)OC)OC)O

DOS

IR

Vibrations