Geometry & MOs

Info

ID:	124161
PubChem CID:	50873686
Reduced:	BrSN2H7C8 (1)
Stoich.:	ABC2D7E8 (1)
Weight, g/mol:	259.022248
ΔH_f, kcal/mol:	50.18
Dipole, Da:	6.5
IP(EA), eV:	-8.94(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-4-methyl-1,3-benzothiazole

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1N)Br)SC#N

DOS

IR

Vibrations