Geometry & MOs

Info

ID:	122670
PubChem CID:	50816628
Reduced:	ClS2O4N5C19H20 (1)
Stoich.:	AB2C4D5E19F20 (1)
Weight, g/mol:	462.058711
ΔH_f, kcal/mol:	-59.56
Dipole, Da:	5.43
IP(EA), eV:	-9.07(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC(C2)C3=NN=C(S3)C(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations