Geometry & MOs

Info

ID:	357838
PubChem CID:	127294681
Reduced:	S2N3O3C17H31 (1)
Stoich.:	A2B3C3D17E31 (1)
Weight, g/mol:	364.160283
ΔH_f, kcal/mol:	-139.98
Dipole, Da:	2.92
IP(EA), eV:	-8.72(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)N(CC2CC2)C(=O)NCCS(=O)(=O)N3CCSCC3

DOS

IR

Vibrations