Geometry & MOs

Info

ID:	85471
PubChem CID:	49875519
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	636.026569
ΔH_f, kcal/mol:	-83.83
Dipole, Da:	2.06
IP(EA), eV:	-9.42(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6-methyl-1,3-benzothiazol-2-yl)-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)-3-sulfophenyl]diazenyl]benzenesulfonic acid

Drug info:

PubChemData

Smile

COC(=O)C1CCC(N1CC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations