Geometry & MOs

Info

ID:

334710

PubChem CID:

127253385

Reduced:

ClN3O5C21H22 (1)

Stoich.:

AB3C5D21E22 (1)

Weight, g/mol:

507.123084

ΔHf, kcal/mol:

-133.87

Dipole, Da:

7.51

IP(EA), eV:

 -8.73(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropyl]amino]spiro[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)NCC4=C(NN=C4)C

DOS

IR

Vibrations