Geometry & MOs

Info

ID:

335068

PubChem CID:

127253874

Reduced:

N3O5C20H23 (1)

Stoich.:

A3B5C20D23 (1)

Weight, g/mol:

510.130612

ΔHf, kcal/mol:

-167.79

Dipole, Da:

3.67

IP(EA), eV:

 -8.98(-0.32)

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-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]spiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(CC(=O)OC)C2=C(C=C(N(C2=O)CCC3=CN=CN3)C)O

DOS

IR

Vibrations