Geometry & MOs

Info

ID:	357541
PubChem CID:	127294204
Reduced:	N2S2O3C19H22 (1)
Stoich.:	A2B2C3D19E22 (1)
Weight, g/mol:	321.081698
ΔH_f, kcal/mol:	-91.95
Dipole, Da:	8.48
IP(EA), eV:	-8.41(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=CC=C(C3=CC=CC1=C23)C(=O)NCCS(=O)(=O)N4CCSCC4

DOS

IR

Vibrations