Geometry & MOs

Info

ID:	174241
PubChem CID:	75744197
Reduced:	S2O3N5C20H21 (1)
Stoich.:	A2B3C5D20E21 (1)
Weight, g/mol:	173.189198
ΔH_f, kcal/mol:	5.19
Dipole, Da:	6.81
IP(EA), eV:	-9.1(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-(4-methylpiperazin-4-ium-1-yl)butylazanium

Drug info:

PubChemData

Smile

CC(=NNC(=O)C1=CC=C(C=C1)CSC2=NN=CN2C)C3=CC=C(C=C3)S(=O)(=O)C

DOS

IR

Vibrations