Geometry & MOs

Info

ID:	170075
PubChem CID:	75193488
Reduced:	FSO2N4C29H35 (1)
Stoich.:	ABC2D4E29F35 (1)
Weight, g/mol:	504.117603
ΔH_f, kcal/mol:	-65.35
Dipole, Da:	4.09
IP(EA), eV:	-9.11(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)F)CC3=NC(=CS3)C(=O)NC4CCCCNC4=O

DOS

IR

Vibrations