Geometry & MOs

Info

ID:

12038

PubChem CID:

126936

Reduced:

SO3C24H30 (1)

Stoich.:

AB3C24D30 (1)

Weight, g/mol:

398.191566

ΔHf, kcal/mol:

-83.44

Dipole, Da:

5.38

IP(EA), eV:

 -8.83(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1'R,2'S,7'S,10'S,11'R,18'R)-7',11'-dimethyl-18'-methylsulfanylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-12,15-diene]-2,14'-dione

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1C4CC4C25CCC(=O)O5)[C@@H](CC6=CC(=O)C=C[C@]36C)SC

DOS

IR

Vibrations