Geometry & MOs

Info

ID:	167611
PubChem CID:	74846903
Reduced:	O3F4N4H22C29 (1)
Stoich.:	A3B4C4D22E29 (1)
Weight, g/mol:	484.130218
ΔH_f, kcal/mol:	-210.01
Dipole, Da:	8.31
IP(EA), eV:	-9.08(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=O)C(=C(N2)CC3=CC=C(C=C3)F)C=C4C(=O)N(C(=O)N4)CC5=CC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations