Geometry & MOs

Info

ID:

11387

PubChem CID:

114916

Reduced:

O3C28H46 (1)

Stoich.:

A3B28C46 (1)

Weight, g/mol:

430.344695

ΔHf, kcal/mol:

-208.22

Dipole, Da:

5.34

IP(EA), eV:

 -9.38(2.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1'R,2R,2'S,4'R,5R,7'S,8'R,9'S,12'S,13'S,15'R,16'R,18'S)-5,7',9',13'-tetramethylspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosane]-15',16'-diol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations