Geometry & MOs

Info

ID:	357361
PubChem CID:	127293994
Reduced:	S2N3O4C11H19 (1)
Stoich.:	A2B3C4D11E19 (1)
Weight, g/mol:	391.159949
ΔH_f, kcal/mol:	-176.17
Dipole, Da:	2.81
IP(EA), eV:	-8.69(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CSCCN1S(=O)(=O)CCNC(=O)C2CC(=O)NC2

DOS

IR

Vibrations