Geometry & MOs

Info

ID:

300918

PubChem CID:

123055400

Reduced:

NO5H31C34 (1)

Stoich.:

AB5C31D34 (1)

Weight, g/mol:

527.090243

ΔHf, kcal/mol:

-90.31

Dipole, Da:

8.95

IP(EA), eV:

 -8.64(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)/C(=C\2/C(N(C(=O)C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C5=CC=C(C=C5)C(C)C)/O

DOS

IR

Vibrations