Geometry & MOs

Info

ID:	209071
PubChem CID:	80619167
Reduced:	ClFOSN3H9C11 (1)
Stoich.:	ABCDE3F9G11 (1)
Weight, g/mol:	259.054611
ΔH_f, kcal/mol:	-0.94
Dipole, Da:	1.66
IP(EA), eV:	-9.53(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-1,3,4-thiadiazol-2-yl)-(2,4-dimethylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1F)C(=O)C2=NN=C(S2)Cl

DOS

IR

Vibrations