Geometry & MOs

Info

ID:	231517
PubChem CID:	87574020
Reduced:	SN2O2F3C10H11 (1)
Stoich.:	AB2C2D3E10F11 (1)
Weight, g/mol:	419.1331
ΔH_f, kcal/mol:	-174.07
Dipole, Da:	5.54
IP(EA), eV:	-9.5(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-(1-methylindol-3-yl)-3-(4-methylpyridin-3-yl)-2-oxoimidazolidin-1-ium-1-yl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C(=C1F)F)NS(=O)(=O)C=C)F)N

DOS

IR

Vibrations