Geometry & MOs

Info

ID:	54516
PubChem CID:	17388803
Reduced:	ClNO2C11H24 (1)
Stoich.:	ABC2D11E24 (1)
Weight, g/mol:	506.03474
ΔH_f, kcal/mol:	-167.96
Dipole, Da:	4.26
IP(EA), eV:	-9.42(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-3-ethyl-2-[(Z)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzothiazole;iodide

Drug info:

PubChemData

Smile

CCC(CCCCCCCC(=O)O)N.Cl

DOS

IR

Vibrations