Geometry & MOs

Info

ID:	346322
PubChem CID:	127270826
Reduced:	S2O3N5C16H21 (1)
Stoich.:	A2B3C5D16E21 (1)
Weight, g/mol:	282.115047
ΔH_f, kcal/mol:	-57.99
Dipole, Da:	2.05
IP(EA), eV:	-9.49(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-oxo-N-(3-propyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NSC(=N1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

DOS

IR

Vibrations