Geometry & MOs

Info

ID:	228483
PubChem CID:	87564790
Reduced:	ClSO2F3N3H13C16 (1)
Stoich.:	ABC2D3E3F13G16 (1)
Weight, g/mol:	602.08205
ΔH_f, kcal/mol:	-209.78
Dipole, Da:	4.41
IP(EA), eV:	-8.75(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(5R)-5-benzyl-2,4-dioxo-1-(pyridin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-ium-1-yl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N)C(F)(F)F.Cl

DOS

IR

Vibrations