Geometry & MOs

Info

ID:	50188
PubChem CID:	12012699
Reduced:	BrSN2O3H15C18 (1)
Stoich.:	ABC2D3E15F18 (1)
Weight, g/mol:	339.080339
ΔH_f, kcal/mol:	29.45
Dipole, Da:	12.3
IP(EA), eV:	-8.0(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]-1-thiophen-2-ylethanone

Drug info:

PubChemData

Smile

C1=CSC(=C1)C(=O)C[N+]2=CC=C(C=C2)CC3=CC=C(C=C3)[N+](=O)[O-].[Br-]

DOS

IR

Vibrations