Geometry & MOs

Info

ID:	350296
PubChem CID:	127277374
Reduced:	S2N3O5C16H19 (1)
Stoich.:	A2B3C5D16E19 (1)
Weight, g/mol:	282.194343
ΔH_f, kcal/mol:	-181.61
Dipole, Da:	4.77
IP(EA), eV:	-9.48(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]oxane-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C(=O)C1)SC(=N2)NC(=O)C3CC(=O)N(C3)C4CCS(=O)(=O)C4

DOS

IR

Vibrations