Geometry & MOs

Info

ID:

167602

PubChem CID:

74846894

Reduced:

BrCl3O3N4H20C28 (1)

Stoich.:

AB3C3D4E20F28 (1)

Weight, g/mol:

577.091974

ΔHf, kcal/mol:

-18.13

Dipole, Da:

6.03

IP(EA), eV:

 -9.06(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[5-(2,4-dichlorophenyl)-2-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-3-(3-phenylpropyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCN2C(=O)C(=CC3=C(NN(C3=O)C4=C(C=C(C=C4Cl)Br)Cl)C5=CC=C(C=C5)Cl)NC2=O

DOS

IR

Vibrations