Geometry & MOs

Info

ID:

334024

PubChem CID:

127252576

Reduced:

NO7H21C26 (1)

Stoich.:

AB7C21D26 (1)

Weight, g/mol:

433.104063

ΔHf, kcal/mol:

-182.78

Dipole, Da:

3.77

IP(EA), eV:

 -8.45(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]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)C[C@@H](C5=CC(=C(C=C5)O)O)O)OC

DOS

IR

Vibrations