Geometry & MOs

Info

ID:	170081
PubChem CID:	75193836
Reduced:	ClN4O4H21C23 (1)
Stoich.:	AB4C4D21E23 (1)
Weight, g/mol:	420.159769
ΔH_f, kcal/mol:	-76.04
Dipole, Da:	7.48
IP(EA), eV:	-8.87(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)C(=CC3=C(NN(C3=O)C4=CC=C(C=C4)Cl)COC)NC2=O

DOS

IR

Vibrations