Geometry & MOs

Info

ID:

335045

PubChem CID:

127253851

Reduced:

N2O9C29H32 (1)

Stoich.:

A2B9C29D32 (1)

Weight, g/mol:

489.166663

ΔHf, kcal/mol:

-288.04

Dipole, Da:

6.42

IP(EA), eV:

 -8.65(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)NCC2=C3C(=C(C4=C2CCN(C4)C)OC)OCO3)C5=CC(=C(C=C5)O)OC)O

DOS

IR

Vibrations