Geometry & MOs

Info

ID:	122723
PubChem CID:	50818628
Reduced:	FSO3N5C23H24 (1)
Stoich.:	ABC3D5E23F24 (1)
Weight, g/mol:	492.069275
ΔH_f, kcal/mol:	-75.82
Dipole, Da:	5.3
IP(EA), eV:	-8.36(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)N2CCC(CC2)C3=NN=C(S3)C(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations