Geometry & MOs

Info

ID:	357538
PubChem CID:	127294201
Reduced:	S2N3O4C16H29 (1)
Stoich.:	A2B3C4D16E29 (1)
Weight, g/mol:	349.112999
ΔH_f, kcal/mol:	-203.92
Dipole, Da:	4.54
IP(EA), eV:	-8.65(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-(2-thiomorpholin-4-ylsulfonylethyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCS(=O)(=O)N1CCSCC1)NC(=O)C2CCCCC2

DOS

IR

Vibrations