Geometry & MOs

Info

ID:	40876
PubChem CID:	8144890
Reduced:	ClSO2N4H15C16 (1)
Stoich.:	ABC2D4E15F16 (1)
Weight, g/mol:	410.154981
ΔH_f, kcal/mol:	-21.74
Dipole, Da:	10.35
IP(EA), eV:	-8.82(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)CNCC1=NC(=O)C2=C(N1)C=C(S2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations