Geometry & MOs

Info

ID:

301004

PubChem CID:

123059102

Reduced:

ClNO7H24C27 (1)

Stoich.:

ABC7D24E27 (1)

Weight, g/mol:

539.278407

ΔHf, kcal/mol:

-201.34

Dipole, Da:

6.27

IP(EA), eV:

 -8.8(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-1-[4-(4-methylpiperazin-1-yl)phenyl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC(=CC(=C3)OC)OC)C4=CC(=C(C=C4)O)Cl)/O

DOS

IR

Vibrations