Geometry & MOs

Info

ID:	41026
PubChem CID:	8145138
Reduced:	N3O5C19H21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	362.153838
ΔH_f, kcal/mol:	-104.52
Dipole, Da:	1.87
IP(EA), eV:	-8.59(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=CO1)/C=N\NC(=O)CNC(=O)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations