Geometry & MOs

Info

ID:	143973
PubChem CID:	53289437
Reduced:	ClSN2O4C21H25 (1)
Stoich.:	ABC2D4E21F25 (1)
Weight, g/mol:	491.164555
ΔH_f, kcal/mol:	-139.23
Dipole, Da:	9.87
IP(EA), eV:	-9.22(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorophenyl)methylsulfonyl]-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)CC3=CC(=CC=C3)Cl

DOS

IR

Vibrations