Geometry & MOs

Info

ID:

300977

PubChem CID:

123058785

Reduced:

NO8C31H31 (1)

Stoich.:

AB8C31D31 (1)

Weight, g/mol:

501.215138

ΔHf, kcal/mol:

-241.91

Dipole, Da:

10.69

IP(EA), eV:

 -8.6(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-1-(3,4-dimethylphenyl)-5-(4-ethoxy-3-methoxyphenyl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2/C(=C(\C3=CC(=CC=C3)OCC)/O)/C(=O)C(=O)N2C4=CC=C(C=C4)C(=O)OCC)OC

DOS

IR

Vibrations