Geometry & MOs

Info

ID:	357545
PubChem CID:	127294208
Reduced:	ClS2N3O4C13H20 (1)
Stoich.:	AB2C3D4E13F20 (1)
Weight, g/mol:	391.159949
ΔH_f, kcal/mol:	-130.05
Dipole, Da:	4.99
IP(EA), eV:	-8.81(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1CCC(=O)NCCS(=O)(=O)N2CCSCC2)Cl

DOS

IR

Vibrations