Geometry & MOs

Info

ID:

10772

PubChem CID:

107825

Reduced:

O8C23H34 (1)

Stoich.:

A8B23C34 (1)

Weight, g/mol:

438.225368

ΔHf, kcal/mol:

-352.74

Dipole, Da:

3.17

IP(EA), eV:

 -9.32(0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2'R,4'S,7'R,9'R,10'S,11'S)-2'-(acetyloxymethyl)-10',11'-dihydroxy-1',5'-dimethylspiro[oxirane-2,12'-tricyclo[7.2.1.02,7]dodec-5-ene]-4'-yl] 3-hydroxy-3-methylbutanoate

Drug info:

PubChemData

Smile

CC1=C[C@H]2C[C@@H]3[C@@H]([C@H](C([C@]2(C[C@@H]1OC(=O)CC(C)(C)O)COC(=O)C)(C34CO4)C)O)O

DOS

IR

Vibrations