Geometry & MOs

Info

ID:	156887
PubChem CID:	56394834
Reduced:	FSCl2N3O3H12C17 (1)
Stoich.:	ABC2D3E3F12G17 (1)
Weight, g/mol:	448.054498
ΔH_f, kcal/mol:	-72.12
Dipole, Da:	3.84
IP(EA), eV:	-9.52(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-methyl-3-N-[2-(methylamino)-5-(methylsulfamoyl)phenyl]benzene-1,3-disulfonamide

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1F)S(=O)(=O)C2=CC=C(C=C2)N3C(=O)C(=C(C=N3)Cl)Cl

DOS

IR

Vibrations