Geometry & MOs

Info

ID:	410586
PubChem CID:	135083386
Reduced:	ClLiNSH7C9 (1)
Stoich.:	ABCDE7F9 (1)
Weight, g/mol:	197.006598
ΔH_f, kcal/mol:	23.71
Dipole, Da:	7.31
IP(EA), eV:	-7.76(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(1-chloroethylidene)-3H-1,3-benzothiazole

Drug info:

PubChemData

Smile

[Li+].C/C(=C/1\[N-]C2=CC=CC=C2S1)/Cl

DOS

IR

Vibrations