Geometry & MOs

Info

ID:	302039
PubChem CID:	124338736
Reduced:	ClFSN3O3C26H27 (1)
Stoich.:	ABCD3E3F26G27 (1)
Weight, g/mol:	406.145948
ΔH_f, kcal/mol:	-121.27
Dipole, Da:	5.82
IP(EA), eV:	-9.01(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethoxyphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations