Geometry & MOs

Info

ID:

83304

PubChem CID:

49857427

Reduced:

ClFO3N7H19C22 (1)

Stoich.:

ABC3D7E19F22 (1)

Weight, g/mol:

511.25834

ΔHf, kcal/mol:

-1.95

Dipole, Da:

9.1

IP(EA), eV:

 -8.7(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-5-[4-(4-methylpiperazin-1-yl)phenyl]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C2=NN(C=C2NC(=O)C3=C4N=CC=CN4N=C3)C(C(=O)NC5CC5)F

DOS

IR

Vibrations