Geometry & MOs

Info

ID:

44501

PubChem CID:

10503811

Reduced:

O6C27H32 (1)

Stoich.:

A6B27C32 (1)

Weight, g/mol:

452.219889

ΔHf, kcal/mol:

-183.31

Dipole, Da:

5.47

IP(EA), eV:

 -8.6(0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,7S,10R)-7-hydroxy-14-(4-methoxyphenyl)-2,6,6,10-tetramethyl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-diene-5,16-dione

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1[C@@H]2[C@@H]([C@@]34CCCC[C@@]3([C@@]2(C=C4)C5=CC=C(C=C5)OC)C)C6([C@H]7[C@@H]1O7)OCCO6

DOS

IR

Vibrations