Geometry & MOs

Info

ID:	167258
PubChem CID:	74799160
Reduced:	SF2N2O2C17H23 (1)
Stoich.:	AB2C2D2E17F23 (1)
Weight, g/mol:	451.216772
ΔH_f, kcal/mol:	-143.07
Dipole, Da:	1.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754651
Charge, e:	1

Chem-info

IUPAC name:

5-benzyl-3-(pyridin-3-ylmethyl)-5-[1-(thiolan-3-yl)piperidin-1-ium-4-yl]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1CC(C(=O)N(C1)CC2=C(C(=CC=C2)F)F)(C[NH+]3CCSCC3)O

DOS

IR

Vibrations