Geometry & MOs

Info

ID:	145147
PubChem CID:	53470438
Reduced:	BrN2F3O3S3H6C12 (1)
Stoich.:	AB2C3D3E3F6G12 (1)
Weight, g/mol:	522.056305
ΔH_f, kcal/mol:	-188.9
Dipole, Da:	3.97
IP(EA), eV:	-9.36(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-[[2-[3-(2-chlorophenyl)propylamino]-5-methylphenyl]diazenyl]-1,3-benzothiazole-6-sulfonate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)NS(=O)(=O)C3=CC=C(S3)Br

DOS

IR

Vibrations