Geometry & MOs

Info

ID:	401362
PubChem CID:	135051049
Reduced:	BClNSF4H13C15 (1)
Stoich.:	ABCDE4F13G15 (1)
Weight, g/mol:	274.045723
ΔH_f, kcal/mol:	-296.45
Dipole, Da:	11.24
IP(EA), eV:	-9.77(-2.52)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-chloro-1-ethyl-3-phenyl-2,1-benzothiazol-1-ium

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.CC[N+]1=C2C=CC(=CC2=C(S1)C3=CC=CC=C3)Cl

DOS

IR

Vibrations