Geometry & MOs

Info

ID:	197962
PubChem CID:	79022238
Reduced:	BrFNO3H9C13 (1)
Stoich.:	ABCD3E9F13 (1)
Weight, g/mol:	211.022248
ΔH_f, kcal/mol:	-36.53
Dipole, Da:	4.67
IP(EA), eV:	-9.54(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)OCC2=CC(=C(C=C2)[N+](=O)[O-])F

DOS

IR

Vibrations