Geometry & MOs

Info

ID:	143253
PubChem CID:	53173989
Reduced:	FSO2N3H12C14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	417.234017
ΔH_f, kcal/mol:	-50.15
Dipole, Da:	2.85
IP(EA), eV:	-9.68(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,5-difluorophenyl)methyl]-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)CNS(=O)(=O)C2=CNC3=C2C=CC=N3

DOS

IR

Vibrations