Geometry & MOs

Info

ID:	365750
PubChem CID:	127318475
Reduced:	N2S2O4C13H22 (1)
Stoich.:	A2B2C4D13E22 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	-178.2
Dipole, Da:	1.32
IP(EA), eV:	-8.66(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-piperidin-1-ylpyridin-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2C(CC1O2)C(=O)NCCS(=O)(=O)N3CCSCC3

DOS

IR

Vibrations