Geometry & MOs

Info

ID:	230097
PubChem CID:	87570153
Reduced:	ClN5H14C16 (1)
Stoich.:	AB5C14D16 (1)
Weight, g/mol:	489.07369
ΔH_f, kcal/mol:	121.5
Dipole, Da:	3.52
IP(EA), eV:	-8.85(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[2-oxo-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

C1CC1C2=CC(=NN2)NC3=NC(=NC(=C3)C4=CC=CC=C4)Cl

DOS

IR

Vibrations