Geometry & MOs

Info

ID:	43914
PubChem CID:	10321975
Reduced:	SO2N5C25H25 (1)
Stoich.:	AB2C5D25E25 (1)
Weight, g/mol:	459.117415
ΔH_f, kcal/mol:	33.08
Dipole, Da:	6.63
IP(EA), eV:	-8.52(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxido-2-[5-propan-2-yl-2-(4-propan-2-ylphenyl)sulfonylphenyl]sulfonylpyridin-1-ium

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)C(=O)N[C@@H]4CCC[C@@H]4C5=NC(=S)NN5

DOS

IR

Vibrations