Geometry & MOs

Info

ID:	227609
PubChem CID:	87562080
Reduced:	N3O3H19C26 (1)
Stoich.:	A3B3C19D26 (1)
Weight, g/mol:	477.205282
ΔH_f, kcal/mol:	85.91
Dipole, Da:	2.14
IP(EA), eV:	-9.12(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanesulfonic acid;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid

Drug info:

PubChemData

Smile

COC1=C(N=C(C=C1C(=O)NO)C2=CC=CC=C2)C3=CC=C(C=C3)C#CC4=CN=CC=C4

DOS

IR

Vibrations