Geometry & MOs

Info

ID:	14308
PubChem CID:	408710
Reduced:	NOSH5C7 (3)
Stoich.:	ABCD5E7 (3)
Weight, g/mol:	453.027555
ΔH_f, kcal/mol:	-20.63
Dipole, Da:	3.7
IP(EA), eV:	-8.84(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[6-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]benzenesulfonic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)N=C(S4)C5=CC(=C(C=C5)N)S(=O)(=O)O

DOS

IR

Vibrations