Geometry & MOs

Info

ID:	381026
PubChem CID:	134971651
Reduced:	N2S2F3O3H17C19 (1)
Stoich.:	A2B2C3D3E17F19 (1)
Weight, g/mol:	339.026252
ΔH_f, kcal/mol:	-125.98
Dipole, Da:	6.09
IP(EA), eV:	-9.04(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-(4-nitrophenyl)-3,4-dihydro-2H-pyrrol-1-ium-5-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CSC(=S)CCCN(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(F)(F)F

DOS

IR

Vibrations