Geometry & MOs

Info

ID:	122668
PubChem CID:	50816597
Reduced:	FS2O3N4C21H21 (1)
Stoich.:	AB2C3D4E21F21 (1)
Weight, g/mol:	446.088261
ΔH_f, kcal/mol:	-76.24
Dipole, Da:	6.64
IP(EA), eV:	-8.46(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4F

DOS

IR

Vibrations