Geometry & MOs

Info

ID:

7647

PubChem CID:

73610

Reduced:

O3C15H20 (2)

Stoich.:

A3B15C20 (2)

Weight, g/mol:

496.282489

ΔHf, kcal/mol:

-109.56

Dipole, Da:

2.65

IP(EA), eV:

 -7.67(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,5S,8S,9S,12S,13R,14S,15R,16R,17S,20S,21S,24S)-12,17-dihydroxy-3,8,12,17,21,25-hexamethyl-6,23-dioxaheptacyclo[13.9.2.01,16.02,14.04,13.05,9.020,24]hexacosa-3,25-diene-7,22-dione

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]2CC[C@]([C@@H]3[C@H]4[C@@H]5C=C([C@@]6([C@H]4C(=C3[C@H]2OC1=O)C)[C@@H]5[C@@](CC[C@@H]7[C@@H]6OC(=O)[C@H]7C)(C)O)C)(C)O

DOS

IR

Vibrations