Geometry & MOs

Info

ID:	157134
PubChem CID:	56422174
Reduced:	FO3N5H20C21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	388.162077
ΔH_f, kcal/mol:	-1.74
Dipole, Da:	2.69
IP(EA), eV:	-9.01(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-fluoro-2-piperidin-1-ylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=C(C=C2)F)NC(=O)C3=NN(C=C3)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations