Geometry & MOs

Info

ID:

334050

PubChem CID:

127252602

Reduced:

NO2C14H15 (2)

Stoich.:

AB2C14D15 (2)

Weight, g/mol:

525.130278

ΔHf, kcal/mol:

-92.0

Dipole, Da:

7.13

IP(EA), eV:

 -8.08(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-3'-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-5'-methylspiro[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]5CCCN6[C@@H]5CCCC6)OC

DOS

IR

Vibrations