Geometry & MOs

Info

ID:	50183
PubChem CID:	12012693
Reduced:	NSCl3O3H14C15 (1)
Stoich.:	ABC3D3E14F15 (1)
Weight, g/mol:	296.9823
ΔH_f, kcal/mol:	-99.33
Dipole, Da:	6.81
IP(EA), eV:	-10.33(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylpyridin-1-ium-1-yl)-1-thiophen-2-ylethanone;bromide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/N=C/2\C=C(C(=O)C(C2(C)Cl)(C)Cl)Cl

DOS

IR

Vibrations