Geometry & MOs

Info

ID:	156184
PubChem CID:	56369432
Reduced:	ClN2S2O3C21H25 (1)
Stoich.:	AB2C2D3E21F25 (1)
Weight, g/mol:	404.156992
ΔH_f, kcal/mol:	-99.34
Dipole, Da:	2.28
IP(EA), eV:	-8.74(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)CSC3=CC=C(C=C3)Cl

DOS

IR

Vibrations