Geometry & MOs

Info

ID:	202708
PubChem CID:	79712260
Reduced:	BrON3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	276.073262
ΔH_f, kcal/mol:	9.95
Dipole, Da:	2.86
IP(EA), eV:	-8.58(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-fluoropyridin-2-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1N(CCCN)C2=CC(=CC=C2)OC)Br

DOS

IR

Vibrations