Geometry & MOs

Info

ID:

334351

PubChem CID:

127252903

Reduced:

ClN3O9C34H34 (1)

Stoich.:

AB3C9D34E34 (1)

Weight, g/mol:

446.16085

ΔHf, kcal/mol:

-277.64

Dipole, Da:

8.2

IP(EA), eV:

 -8.05(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-3'-(1-azabicyclo[2.2.2]octan-3-ylamino)-7-chloro-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C(C3=C(N2)N(C(=O)N(C3=O)C)C)C4=CC(=C(C=C4)OC)OCC(=C)C)C(=O)[C@]15C(=O)C6=C(O5)C(=C(C=C6OC)OC)Cl

DOS

IR

Vibrations