Geometry & MOs

Info

ID:	357360
PubChem CID:	127293993
Reduced:	S2N3O4C13H23 (1)
Stoich.:	A2B3C4D13E23 (1)
Weight, g/mol:	321.081698
ΔH_f, kcal/mol:	-188.44
Dipole, Da:	7.42
IP(EA), eV:	-8.44(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-N-(2-thiomorpholin-4-ylsulfonylethyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C(=O)C1)CC(=O)NCCS(=O)(=O)N2CCSCC2

DOS

IR

Vibrations