Geometry & MOs

Info

ID:	421268
PubChem CID:	135115670
Reduced:	SF2N4O4C12H18 (1)
Stoich.:	AB2C4D4E12F18 (1)
Weight, g/mol:	329.153955
ΔH_f, kcal/mol:	-225.91
Dipole, Da:	5.75
IP(EA), eV:	-9.84(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[3-oxo-3-(3-pyridin-3-ylpropylamino)propyl]benzamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=NNC(=C2)C(F)F

DOS

IR

Vibrations