Geometry & MOs

Info

ID:

300949

PubChem CID:

123055450

Reduced:

NCl2O4H23C27 (1)

Stoich.:

AB2C4D23E27 (1)

Weight, g/mol:

515.222035

ΔHf, kcal/mol:

-96.11

Dipole, Da:

4.61

IP(EA), eV:

 -8.98(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-5-(2-fluorophenyl)-4-[hydroxy-(2-methoxy-5-methylphenyl)methylidene]-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C(/C(=C(/C3=C(C=CC(=C3)C)OC)\O)/C(=O)C2=O)C4=CC(=C(C=C4)Cl)Cl)C

DOS

IR

Vibrations