Geometry & MOs

Info

ID:	193466
PubChem CID:	78398323
Reduced:	SF3O3N4C23H25 (1)
Stoich.:	AB3C3D4E23F25 (1)
Weight, g/mol:	437.120285
ΔH_f, kcal/mol:	-218.09
Dipole, Da:	4.94
IP(EA), eV:	-8.83(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-3-oxo-4-(4-phenylpiperazin-1-ium-1-yl)butanenitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2CC3=NC(CC(N3N2)C(F)(F)F)C4=CC=CC=C4

DOS

IR

Vibrations