Geometry & MOs

Info

ID:	10659
PubChem CID:	106232
Reduced:	N2S3O6H12C14 (1)
Stoich.:	A2B3C6D12E14 (1)
Weight, g/mol:	399.98575
ΔH_f, kcal/mol:	-185.09
Dipole, Da:	7.83
IP(EA), eV:	-8.9(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-aminophenyl)-6-methyl-1,3-benzothiazole-4,7-disulfonic acid

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1S(=O)(=O)O)SC(=N2)C3=CC=C(C=C3)N)S(=O)(=O)O

DOS

IR

Vibrations