Geometry & MOs

Info

ID:

334377

PubChem CID:

127252929

Reduced:

O9H22C28 (1)

Stoich.:

A9B22C28 (1)

Weight, g/mol:

441.134301

ΔHf, kcal/mol:

-256.45

Dipole, Da:

5.49

IP(EA), eV:

 -8.3(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-[[(1S)-1-phenylethyl]amino]spiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=C(C3=C4C(=C(C(=C3O2)O)O)C(=O)C=C(O4)C5=CC=CC=C5)CC(=O)OC)OC

DOS

IR

Vibrations