Geometry & MOs

Info

ID:	40874
PubChem CID:	8144885
Reduced:	FSN3O4C19H24 (1)
Stoich.:	ABC3D4E19F24 (1)
Weight, g/mol:	410.154981
ΔH_f, kcal/mol:	-155.03
Dipole, Da:	3.89
IP(EA), eV:	-9.0(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 1-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)CN2C(=S)OC(=N2)[C@@H](C)OC3=CC=C(C=C3)F

DOS

IR

Vibrations