Geometry & MOs

Info

ID:	122664
PubChem CID:	50816414
Reduced:	FSO2N4C16H17 (1)
Stoich.:	ABC2D4E16F17 (1)
Weight, g/mol:	410.121275
ΔH_f, kcal/mol:	-65.23
Dipole, Da:	3.81
IP(EA), eV:	-9.29(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-benzoylpiperidin-4-yl)-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations