Geometry & MOs

Info

ID:	122667
PubChem CID:	50816596
Reduced:	ClS2O3N4C21H21 (1)
Stoich.:	AB2C3D4E21F21 (1)
Weight, g/mol:	460.103911
ΔH_f, kcal/mol:	-37.23
Dipole, Da:	2.46
IP(EA), eV:	-8.61(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations