Geometry & MOs

Info

ID:	228964
PubChem CID:	87566453
Reduced:	FSN3O3C23H26 (1)
Stoich.:	ABC3D3E23F26 (1)
Weight, g/mol:	494.060921
ΔH_f, kcal/mol:	-74.48
Dipole, Da:	3.36
IP(EA), eV:	-8.79(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(5S)-5-methyl-2,4-dioxo-1-(pyridin-4-ylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-ium-1-yl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

C1CN(C/C(=C/C2=NN(C=C2)CCC(=O)O)/[C@@H]1S)C(C3=CC=CC=C3F)C(=O)C4CC4

DOS

IR

Vibrations