Geometry & MOs

Info

ID:

334196

PubChem CID:

127252748

Reduced:

NO8C28H31 (1)

Stoich.:

AB8C28D31 (1)

Weight, g/mol:

498.119379

ΔHf, kcal/mol:

-247.1

Dipole, Da:

4.13

IP(EA), eV:

 -8.58(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[[(Z)-[(2R,4'R)-7-chloro-4,6-dimethoxy-4'-methyl-2',3,6'-trioxospiro[1-benzofuran-2,3'-cyclohexane]-1'-ylidene]methyl]amino]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(=C)COC1=C(C=C(C=C1)C(CC(=O)OC)C2=C(C=CC3=C2O/C(=C\N4CCOCC4)/C3=O)O)OC

DOS

IR

Vibrations