Geometry & MOs

Info

ID:	167590
PubChem CID:	74846882
Reduced:	ClO3N4H19C26 (1)
Stoich.:	AB3C4D19E26 (1)
Weight, g/mol:	454.144119
ΔH_f, kcal/mol:	3.54
Dipole, Da:	7.42
IP(EA), eV:	-8.72(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-5-[[2-(4-fluorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]methylidene]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=O)C(=CC3=C(NN(C3=O)C4=CC=CC=C4Cl)C5=CC=CC=C5)NC2=O

DOS

IR

Vibrations