Geometry & MOs

Info

ID:	29495
PubChem CID:	834418
Reduced:	BrFNH13C14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	322.968688
ΔH_f, kcal/mol:	2.46
Dipole, Da:	2.92
IP(EA), eV:	-9.38(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,5-dichloro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNCC2=CC=C(C=C2)Br)F

DOS

IR

Vibrations