Geometry & MOs

Info

ID:	362779
PubChem CID:	127309327
Reduced:	SO2N3C14H27 (1)
Stoich.:	AB2C3D14E27 (1)
Weight, g/mol:	339.172896
ΔH_f, kcal/mol:	-106.78
Dipole, Da:	3.59
IP(EA), eV:	-8.7(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(thian-4-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

COCCN1CCCC1CNC(=O)NC2CCSCC2

DOS

IR

Vibrations