Geometry & MOs

Info

ID:	41587
PubChem CID:	8146405
Reduced:	OSN4H12C13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	408.159317
ΔH_f, kcal/mol:	67.35
Dipole, Da:	0.33
IP(EA), eV:	-9.32(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=NN2CC(=O)NCC3=CC=CS3

DOS

IR

Vibrations