Geometry & MOs

Info

ID:	61263
PubChem CID:	26707535
Reduced:	FS2O3N4H21C23 (1)
Stoich.:	AB2C3D4E21F23 (1)
Weight, g/mol:	436.027154
ΔH_f, kcal/mol:	-59.65
Dipole, Da:	4.58
IP(EA), eV:	-8.85(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-2-fluorophenyl)-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C4=CC=C(C=C4)F

DOS

IR

Vibrations