Geometry & MOs

Info

ID:

218246

PubChem CID:

85089083

Reduced:

O4C12H13 (2)

Stoich.:

A4B12C13 (2)

Weight, g/mol:

442.220283

ΔHf, kcal/mol:

-258.78

Dipole, Da:

3.19

IP(EA), eV:

 -8.8(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7'-hydroxy-6'-methyl-11'-propan-2-yl-4'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[oxirane-2,5'-tricyclo[6.2.1.02,6]undecane]-10'-one

Drug info:

PubChemData

Smile

CCOC(=O)C=CC1=CC(=C(C(=C1)OC)O)C(C=C2C=CC(=O)C(=C2)OC)C(=O)OCC

DOS

IR

Vibrations