Geometry & MOs

Info

ID:

8844

PubChem CID:

82389

Reduced:

O3N4S4H18C28 (1)

Stoich.:

A3B4C4D18E28 (1)

Weight, g/mol:

586.026175

ΔHf, kcal/mol:

34.44

Dipole, Da:

5.26

IP(EA), eV:

 -8.6(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[2-(4-aminophenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)N=C(S4)C5=CC6=C(C=C5)N=C(S6)C7=CC=C(C=C7)N)S(=O)(=O)O

DOS

IR

Vibrations