Geometry & MOs

Info

ID:	122726
PubChem CID:	50818759
Reduced:	O3N5C20H21 (1)
Stoich.:	A3B5C20D21 (1)
Weight, g/mol:	446.088261
ΔH_f, kcal/mol:	-4.71
Dipole, Da:	5.34
IP(EA), eV:	-8.8(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCC1=NOC(=N1)C(=O)NCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations