Geometry & MOs

Info

ID:	143972
PubChem CID:	53289436
Reduced:	ClFSN2O3C20H22 (1)
Stoich.:	ABCD2E3F20G22 (1)
Weight, g/mol:	436.122356
ΔH_f, kcal/mol:	-141.1
Dipole, Da:	5.95
IP(EA), eV:	-9.63(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-chlorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)S(=O)(=O)CC2=CC(=CC=C2)Cl)C(=O)NCC3=CC(=CC=C3)F

DOS

IR

Vibrations