Geometry & MOs

Info

ID:

167601

PubChem CID:

74846893

Reduced:

ClO3N4H25C29 (1)

Stoich.:

AB3C4D25E29 (1)

Weight, g/mol:

643.97844

ΔHf, kcal/mol:

-13.12

Dipole, Da:

4.13

IP(EA), eV:

 -9.22(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[2-(4-bromo-2,6-dichlorophenyl)-5-(4-chlorophenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-3-(3-phenylpropyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=O)C(=C(N2)C3=CC=C(C=C3)Cl)C=C4C(=O)N(C(=O)N4)CCCC5=CC=CC=C5

DOS

IR

Vibrations