Geometry & MOs

Info

ID:

51801

PubChem CID:

12014548

Reduced:

OH7C8 (4)

Stoich.:

AB7C8 (4)

Weight, g/mol:

480.23006

ΔHf, kcal/mol:

-37.24

Dipole, Da:

1.8

IP(EA), eV:

 -9.69(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,4R,5R,6R,7S,14R,15S,16S,17S,19R,20R,21R,22S,29R,30S)-32,34-dioxaundecacyclo[18.10.1.15,16.17,14.122,29.02,19.04,17.06,15.08,13.021,30.023,28]tetratriaconta-8,10,12,23,25,27-hexaene-3,18-diol

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H]3[C@H]([C@H]1[C@H]4[C@@H]2C(=O)[C@H]5[C@H]6C[C@@H]([C@H]5C4=O)[C@@H]7[C@H]6[C@H]8C9=CC=CC=C9[C@@H]7O8)[C@H]1C2=CC=CC=C2[C@@H]3O1

DOS

IR

Vibrations