Geometry & MOs

Info

ID:	357820
PubChem CID:	127294663
Reduced:	S2N3O3C17H31 (1)
Stoich.:	A2B3C3D17E31 (1)
Weight, g/mol:	336.092597
ΔH_f, kcal/mol:	-136.94
Dipole, Da:	6.84
IP(EA), eV:	-8.51(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxo-N-(2-thiomorpholin-4-ylsulfonylethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CN(C2CC2)C(=O)NCCS(=O)(=O)N3CCSCC3

DOS

IR

Vibrations