Geometry & MOs

Info

ID:	8852
PubChem CID:	82581
Reduced:	NaN3O3S3H14C21 (1)
Stoich.:	AB3C3D3E14F21 (1)
Weight, g/mol:	475.009499
ΔH_f, kcal/mol:	-68.68
Dipole, Da:	6.33
IP(EA), eV:	-8.46(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-[2-(4-aminophenyl)-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonate

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)N=C(S4)C5=CC=C(C=C5)N)S(=O)(=O)[O-].[Na+]

DOS

IR

Vibrations