Geometry & MOs

Info

ID:

300920

PubChem CID:

123055403

Reduced:

NCl2O5H21C26 (1)

Stoich.:

AB2C5D21E26 (1)

Weight, g/mol:

538.142613

ΔHf, kcal/mol:

-123.23

Dipole, Da:

7.29

IP(EA), eV:

 -8.65(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-5-(3,4-dichlorophenyl)-1-[4-(diethylamino)phenyl]-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(=CC=C3)OC)C4=CC(=C(C=C4)Cl)Cl)/O

DOS

IR

Vibrations