Geometry & MOs

Info

ID:	125387
PubChem CID:	50922094
Reduced:	MnN2S2O8C12H26 (1)
Stoich.:	AB2C2D8E12F26 (1)
Weight, g/mol:	446.047994
ΔH_f, kcal/mol:	-283.27
Dipole, Da:	7.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 3.289178
Charge, e:	2

Chem-info

IUPAC name:

dioxidanium;iron(2+);3-methylpiperidin-1-ide-2-sulfonic acid;3-methyl-2H-pyridin-1-ide-2-sulfonic acid

Drug info:

PubChemData

Smile

CC1CCC[N-]C1S(=O)(=O)O.CC1=CC=C[N-]C1S(=O)(=O)O.[OH3+].[OH3+].[Mn+2]

DOS

IR

Vibrations