Geometry & MOs

Info

ID:	50185
PubChem CID:	12012696
Reduced:	BrNSO2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	386.99286
ΔH_f, kcal/mol:	-22.52
Dipole, Da:	7.32
IP(EA), eV:	-8.19(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-benzoylpyridin-1-ium-1-yl)-1-thiophen-2-ylethanone;bromide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=[N+](C=C1)CC(=O)C2=CC=CS2.[Br-]

DOS

IR

Vibrations