Geometry & MOs

Info

ID:	61117
PubChem CID:	26705820
Reduced:	ClFN3O3H13C21 (1)
Stoich.:	ABC3D3E13F21 (1)
Weight, g/mol:	410.08672
ΔH_f, kcal/mol:	-36.33
Dipole, Da:	8.54
IP(EA), eV:	-9.09(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-fluoro-4-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)OC3=C4C(=C(C=C3)Cl)C=CC=N4

DOS

IR

Vibrations