Geometry & MOs

Info

ID:	340444
PubChem CID:	127262455
Reduced:	Na2S2N6O9H22C27 (1)
Stoich.:	A2B2C6D9E22F27 (1)
Weight, g/mol:	302.025869
ΔH_f, kcal/mol:	-438.16
Dipole, Da:	6.4
IP(EA), eV:	-8.46(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-diamino-2,4,6-trimethylbenzenesulfonic acid;dihydrochloride

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NC2=C(C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)N)S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+]

DOS

IR

Vibrations