Geometry & MOs

Info

ID:

334215

PubChem CID:

127252767

Reduced:

ClN3O5C28H30 (1)

Stoich.:

AB3C5D28E30 (1)

Weight, g/mol:

445.140449

ΔHf, kcal/mol:

-136.26

Dipole, Da:

7.78

IP(EA), eV:

 -8.77(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-(3-imidazol-1-ylpropylamino)-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCCCCCC4=NC5=CC=CC=C5N4

DOS

IR

Vibrations