Geometry & MOs

Info

ID:	122841
PubChem CID:	50823744
Reduced:	ClSN3O5C21H22 (1)
Stoich.:	ABC3D5E21F22 (1)
Weight, g/mol:	410.08672
ΔH_f, kcal/mol:	-158.75
Dipole, Da:	2.79
IP(EA), eV:	-8.83(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1CN(CCC1NS(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)CN3C(=O)COC4=CC=CC=C43

DOS

IR

Vibrations