Geometry & MOs

Info

ID:	158073
PubChem CID:	56462774
Reduced:	F2S2O3N5H17C20 (1)
Stoich.:	A2B2C3D5E17F20 (1)
Weight, g/mol:	417.166411
ΔH_f, kcal/mol:	-97.91
Dipole, Da:	7.79
IP(EA), eV:	-9.37(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-piperidin-1-yl-3-[[(Z)-4,4,4-trifluoro-3-phenylbut-2-enoyl]amino]benzamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F

DOS

IR

Vibrations