Geometry & MOs

Info

ID:	122661
PubChem CID:	50816360
Reduced:	FSO2N4C19H23 (1)
Stoich.:	ABC2D4E19F23 (1)
Weight, g/mol:	444.082303
ΔH_f, kcal/mol:	-77.82
Dipole, Da:	2.54
IP(EA), eV:	-9.27(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CCC(CC1)C2=NN=C(S2)C(=O)NC3=CC=CC=C3F

DOS

IR

Vibrations