Geometry & MOs

Info

ID:	54892
PubChem CID:	17389499
Reduced:	BrNOSC8H8 (1)
Stoich.:	ABCDE8F8 (1)
Weight, g/mol:	506.87631
ΔH_f, kcal/mol:	-18.29
Dipole, Da:	2.81
IP(EA), eV:	-8.85(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(iodomethyl)-5-pyridin-3-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-4-ium-8-carbonitrile;iodide

Drug info:

PubChemData

Smile

C1CC2=C(C=C(S2)Br)NC(=O)C1

DOS

IR

Vibrations