Geometry & MOs

Info

ID:	122665
PubChem CID:	50816415
Reduced:	FSO2N4H19C21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	464.078839
ΔH_f, kcal/mol:	-28.88
Dipole, Da:	2.55
IP(EA), eV:	-9.28(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NN=C(S2)C(=O)NC3=CC=CC=C3F)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations