Geometry & MOs

Info

ID:	167599
PubChem CID:	74846891
Reduced:	O3N4H24C28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	543.130947
ΔH_f, kcal/mol:	0.17
Dipole, Da:	7.48
IP(EA), eV:	-8.87(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[5-(4-chlorophenyl)-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=CC=CC=C4)C5=CC=CC=C5)NC2=O

DOS

IR

Vibrations