Geometry & MOs

Info

ID:	143763
PubChem CID:	53257063
Reduced:	SF3N3O6H22C27 (1)
Stoich.:	AB3C3D6E22F27 (1)
Weight, g/mol:	462.131287
ΔH_f, kcal/mol:	-295.64
Dipole, Da:	9.48
IP(EA), eV:	-9.02(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2,4-bis(trifluoromethyl)phenyl]-N-(4,6-dimethylpyridin-2-yl)piperazine-1-carbothioamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=N4.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations