Geometry & MOs

Info

ID:

11389

PubChem CID:

114922

Reduced:

O6C17H24 (1)

Stoich.:

A6B17C24 (1)

Weight, g/mol:

324.157288

ΔHf, kcal/mol:

-237.8

Dipole, Da:

3.34

IP(EA), eV:

 -9.84(0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,7R,9R,10R,11S)-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate

Drug info:

PubChemData

Smile

CC1=C[C@@H]2[C@](CC1)(C3([C@@H]([C@H]([C@H](C34CO4)O2)O)OC(=O)C)C)CO

DOS

IR

Vibrations