Geometry & MOs

Info

ID:	166427
PubChem CID:	74688710
Reduced:	SO2N6H18C23 (1)
Stoich.:	AB2C6D18E23 (1)
Weight, g/mol:	328.130218
ΔH_f, kcal/mol:	187.02
Dipole, Da:	5.42
IP(EA), eV:	-9.64(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-[4-(6-chloropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]-1-(4-hydroxy-1,2-oxazolidin-2-yl)ethanone

Drug info:

PubChemData

Smile

C1C=C2C(CN1CC3=CC=CC=C3)C(C(C(=N)C2C#N)(C#N)C#N)C4=CC=C(S4)[N+](=O)[O-]

DOS

IR

Vibrations