Geometry & MOs

Info

ID:	122666
PubChem CID:	50816567
Reduced:	F2S2O3N4H18C20 (1)
Stoich.:	A2B2C3D4E18F20 (1)
Weight, g/mol:	476.074361
ΔH_f, kcal/mol:	-111.88
Dipole, Da:	5.44
IP(EA), eV:	-9.42(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)F)C3=NN=C(S3)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations