Geometry & MOs

Info

ID:	41593
PubChem CID:	8146415
Reduced:	O2N5C13H17 (1)
Stoich.:	A2B5C13D17 (1)
Weight, g/mol:	354.094609
ΔH_f, kcal/mol:	-29.5
Dipole, Da:	7.21
IP(EA), eV:	-9.21(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)NC(=O)CN1C2=CC=CC=C2N=N1

DOS

IR

Vibrations