Geometry & MOs

Info

ID:

125291

PubChem CID:

50918828

Reduced:

OC15H24 (1)

Stoich.:

AB15C24 (1)

Weight, g/mol:

420.109018

ΔHf, kcal/mol:

29.63

Dipole, Da:

8.2

IP(EA), eV:

 -5.56(-2.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,3S,5S,7R,9S,10R)-10-acetyloxy-3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodecane-12,2'-oxirane]-6-sulfonic acid

Drug info:

PubChemData

Smile

CC(C)[C@H]1C[C@]2(C[C@@]3(C[C@H]1[C@H]2CC3=O)C)C

DOS

IR

Vibrations