Geometry & MOs

Info

ID:	449047
PubChem CID:	135295523
Reduced:	NSO2C6H9 (1)
Stoich.:	ABC2D6E9 (1)
Weight, g/mol:	446.108248
ΔH_f, kcal/mol:	-34.91
Dipole, Da:	3.29
IP(EA), eV:	-8.66(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(4-aminophenyl)-4-methyl-1-N-[4-(methylamino)phenyl]benzene-1,3-disulfonamide

Drug info:

PubChemData

Smile

CS(=O)NCC1=CC=CO1

DOS

IR

Vibrations