Geometry & MOs

Info

ID:

125292

PubChem CID:

50918829

Reduced:

SO10C17H24 (1)

Stoich.:

AB10C17D24 (1)

Weight, g/mol:

266.151809

ΔHf, kcal/mol:

-392.8

Dipole, Da:

5.93

IP(EA), eV:

 -10.17(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C([C@H]2[C@@]([C@@H](C1=O)O)([C@@]3(C[C@H]([C@@H](C34CO4)O2)OC(=O)C)C)CO)S(=O)(=O)O

DOS

IR

Vibrations