Geometry & MOs

Info

ID:	144968
PubChem CID:	53441994
Reduced:	OF2N2H10C14 (1)
Stoich.:	AB2C2D10E14 (1)
Weight, g/mol:	389.03103
ΔH_f, kcal/mol:	-77.98
Dipole, Da:	8.05
IP(EA), eV:	-9.77(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)-3-methylbut-3-en-1-ol;iodide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CC(=C(C(=O)N2)C#N)C(F)F

DOS

IR

Vibrations