Geometry & MOs

Info

ID:

334385

PubChem CID:

127252937

Reduced:

O9H22C28 (1)

Stoich.:

A9B22C28 (1)

Weight, g/mol:

473.12413

ΔHf, kcal/mol:

-276.51

Dipole, Da:

5.53

IP(EA), eV:

 -8.69(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=C(C3=C(O2)C=C(C4=C3OC(=C(C4=O)O)C5=CC(=C(C=C5)O)O)O)CC(=O)OC)C

DOS

IR

Vibrations