Geometry & MOs

Info

ID:	54768
PubChem CID:	17389232
Reduced:	BrSN2O3C33H37 (1)
Stoich.:	ABC2D3E33F37 (1)
Weight, g/mol:	254.075194
ΔH_f, kcal/mol:	-54.7
Dipole, Da:	9.22
IP(EA), eV:	-8.29(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)N=C2N(C(=CS2)C3=CC=C(C=C3)C4CCCCC4)CCC5=CC(=C(C=C5)OC)OC.Br

DOS

IR

Vibrations