Geometry & MOs

Info

ID:	399506
PubChem CID:	135040627
Reduced:	SN2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	282.994855
ΔH_f, kcal/mol:	52.54
Dipole, Da:	2.83
IP(EA), eV:	-8.93(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(trifluoromethylsulfonyl)-2H-1,3-benzothiazole

Drug info:

PubChemData

Smile

C1CCC2=NC(=NC=C2C1)C3=CC=CS3

DOS

IR

Vibrations