Geometry & MOs

Info

ID:

167600

PubChem CID:

74846892

Reduced:

ClN5O5H22C28 (1)

Stoich.:

AB5C5D22E28 (1)

Weight, g/mol:

512.161518

ΔHf, kcal/mol:

-14.71

Dipole, Da:

7.56

IP(EA), eV:

 -9.31(-2.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[5-(4-chlorophenyl)-2-(2-methylphenyl)-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=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)Cl)NC2=O

DOS

IR

Vibrations