Geometry & MOs

Info

ID:	194080
PubChem CID:	78479052
Reduced:	BrOSN3C19H21 (1)
Stoich.:	ABCD3E19F21 (1)
Weight, g/mol:	266.046259
ΔH_f, kcal/mol:	79.6
Dipole, Da:	14.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.972453
Charge, e:	1

Chem-info

IUPAC name:

1-thiophen-2-yl-2-[2-(trifluoromethyl)-1,3-oxazolidin-3-ium-2-yl]ethanone

Drug info:

PubChemData

Smile

C[NH+]1CCC2(CC1)N3C(CC(=N3)C4=CC=C(S4)Br)C5=CC=CC=C5O2

DOS

IR

Vibrations