Geometry & MOs

Info

ID:	174630
PubChem CID:	75797679
Reduced:	SN3O3C18H27 (1)
Stoich.:	AB3C3D18E27 (1)
Weight, g/mol:	283.200825
ΔH_f, kcal/mol:	-101.64
Dipole, Da:	4.92
IP(EA), eV:	-9.0(0.26)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2,4-diethyl-6-(4-ethylpiperazin-4-ium-1-yl)-6H-1,2,4-triazin-2-ium-3,5-dione

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(NN2)C(=O)NCCCS(=O)(=O)CC3=CC=CC=C3

DOS

IR

Vibrations