Geometry & MOs

Info

ID:

334959

PubChem CID:

127253765

Reduced:

NOC6H6 (4)

Stoich.:

ABC6D6 (4)

Weight, g/mol:

511.114628

ΔHf, kcal/mol:

-93.01

Dipole, Da:

8.54

IP(EA), eV:

 -8.94(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC=NC4=CC=CC=C34)O

DOS

IR

Vibrations