Geometry & MOs

Info

ID:	151051
PubChem CID:	53790748
Reduced:	ClSN3O4C22H22 (1)
Stoich.:	ABC3D4E22F22 (1)
Weight, g/mol:	539.150925
ΔH_f, kcal/mol:	-67.3
Dipole, Da:	2.83
IP(EA), eV:	-8.34(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-chloro-N-[[1-[6-(2,3-dichlorophenyl)-6-oxohexyl]piperidin-4-yl]methyl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

CN(C)C(=C1C=CC=N1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OC)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations