Geometry & MOs

Info

ID:	209052
PubChem CID:	80617161
Reduced:	SO2N4C12H20 (1)
Stoich.:	AB2C4D12E20 (1)
Weight, g/mol:	228.068097
ΔH_f, kcal/mol:	-52.36
Dipole, Da:	3.01
IP(EA), eV:	-9.13(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-amino-1,3,4-thiadiazol-2-yl)-(3-hydroxypiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CNC1=NN=C(S1)C(=O)NCCOC2CCCCC2

DOS

IR

Vibrations