Geometry & MOs

Info

ID:	193711
PubChem CID:	78427400
Reduced:	SO2N4H12C19 (1)
Stoich.:	AB2C4D12E19 (1)
Weight, g/mol:	359.091532
ΔH_f, kcal/mol:	84.93
Dipole, Da:	5.28
IP(EA), eV:	-9.07(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylsulfonylpiperazin-1-yl)-7-(trifluoromethyl)quinoline

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(C(=N1)OC3=CC=CC=C3C#N)SC=C2C4=CC=NC=C4

DOS

IR

Vibrations