Geometry & MOs

Info

ID:

334479

PubChem CID:

127253154

Reduced:

NO5H21C25 (1)

Stoich.:

AB5C21D25 (1)

Weight, g/mol:

447.119713

ΔHf, kcal/mol:

-95.09

Dipole, Da:

1.52

IP(EA), eV:

 -8.11(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCC5=CC=CO5)OC

DOS

IR

Vibrations