Geometry & MOs

Info

ID:	40993
PubChem CID:	8145086
Reduced:	SN3O5C19H25 (1)
Stoich.:	AB3C5D19E25 (1)
Weight, g/mol:	354.094609
ΔH_f, kcal/mol:	-138.4
Dipole, Da:	2.98
IP(EA), eV:	-8.53(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)CN2C(=S)OC(=N2)COC3=CC=C(C=C3)OC

DOS

IR

Vibrations