Geometry & MOs

Info

ID:

334661

PubChem CID:

127253336

Reduced:

N3O4C23H23 (1)

Stoich.:

A3B4C23D23 (1)

Weight, g/mol:

525.130278

ΔHf, kcal/mol:

-109.04

Dipole, Da:

4.74

IP(EA), eV:

 -9.1(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-[2-[(2E)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]ethylamino]spiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CCCN2C3C4=CC=CC=C4C(=O)N3C5=CC=CC=C5C2=O

DOS

IR

Vibrations