Geometry & MOs

Info

ID:

334002

PubChem CID:

127252554

Reduced:

ClN2O6C26H27 (1)

Stoich.:

AB2C6D26E27 (1)

Weight, g/mol:

492.166329

ΔHf, kcal/mol:

-191.19

Dipole, Da:

3.2

IP(EA), eV:

 -8.8(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[[(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3,3'-dioxospiro[1-benzofuran-2,4'-cyclohexene]-1'-yl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)N[C@@H](CC4=CC=CC=C4)C(=O)NC

DOS

IR

Vibrations