Geometry & MOs

Info

ID:	357812
PubChem CID:	127294655
Reduced:	S2N3O3C10H19 (1)
Stoich.:	A2B3C3D10E19 (1)
Weight, g/mol:	351.128649
ΔH_f, kcal/mol:	-117.13
Dipole, Da:	6.66
IP(EA), eV:	-8.54(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(hydroxymethyl)-N-(2-thiomorpholin-4-ylsulfonylethyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(C1)C(=O)NCCS(=O)(=O)N2CCSCC2

DOS

IR

Vibrations