Geometry & MOs

Info

ID:	167607
PubChem CID:	74846899
Reduced:	ClO3N4H23C28 (1)
Stoich.:	AB3C4D23E28 (1)
Weight, g/mol:	498.122546
ΔH_f, kcal/mol:	-9.18
Dipole, Da:	8.35
IP(EA), eV:	-8.99(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(3,4-dichlorophenyl)-3-oxo-5-propan-2-yl-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)Cl)C5=CC=CC=C5)NC2=O

DOS

IR

Vibrations