Geometry & MOs

Info

ID:	40976
PubChem CID:	8145048
Reduced:	ClOSN2H15C18 (1)
Stoich.:	ABCD2E15F18 (1)
Weight, g/mol:	348.125612
ΔH_f, kcal/mol:	8.6
Dipole, Da:	7.36
IP(EA), eV:	-9.3(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(5-pyridin-3-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

DOS

IR

Vibrations