Geometry & MOs

Info

ID:	165214
PubChem CID:	74519246
Reduced:	Cl2O3N4H10C11 (1)
Stoich.:	A2B3C4D10E11 (1)
Weight, g/mol:	489.073836
ΔH_f, kcal/mol:	-125.03
Dipole, Da:	3.03
IP(EA), eV:	-9.3(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(4-ethoxyphenyl)ethenyl]-5-methoxythieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate

Drug info:

PubChemData

Smile

C1C(NC(=O)NC1=O)NC(=O)NC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations