Geometry & MOs

Info

ID:

8843

PubChem CID:

82388

Reduced:

NaO3N4S4H17C28 (1)

Stoich.:

AB3C4D4E17F28 (1)

Weight, g/mol:

608.008119

ΔHf, kcal/mol:

-19.25

Dipole, Da:

11.71

IP(EA), eV:

 -8.62(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;2-[2-[2-(4-aminophenyl)-1,3-benzothiazol-6-yl]-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=CC6=C(C=C5)N=C(S6)C7=CC=C(C=C7)N)S(=O)(=O)[O-].[Na+]

DOS

IR

Vibrations