Geometry & MOs

Info

ID:	40873
PubChem CID:	8144882
Reduced:	SO3N4C14H15 (1)
Stoich.:	AB3C4D14E15 (1)
Weight, g/mol:	409.147156
ΔH_f, kcal/mol:	-34.11
Dipole, Da:	5.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.855988
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)C[NH2+]CC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1

DOS

IR

Vibrations