Geometry & MOs

Info

ID:

301206

PubChem CID:

123069162

Reduced:

NO7H29C30 (1)

Stoich.:

AB7C29D30 (1)

Weight, g/mol:

491.149951

ΔHf, kcal/mol:

-202.21

Dipole, Da:

8.58

IP(EA), eV:

 -8.87(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-1-(5-chloro-2-methylphenyl)-5-(3-ethoxyphenyl)-4-[hydroxy-(2-methoxy-5-methylphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations