Geometry & MOs

Info

ID:	157233
PubChem CID:	56422430
Reduced:	OF2N4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	421.11077
ΔH_f, kcal/mol:	-45.47
Dipole, Da:	6.5
IP(EA), eV:	-8.77(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-fluoro-2-piperidin-1-ylphenyl)-3-methylsulfonyl-5-nitrobenzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=C(C=C2)F)NC(=O)C3=NN(C=C3)C4=CC(=CC=C4)F

DOS

IR

Vibrations