Geometry & MOs

Info

ID:	171549
PubChem CID:	75393093
Reduced:	SO2N4C13H16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	322.180504
ΔH_f, kcal/mol:	-12.03
Dipole, Da:	8.37
IP(EA), eV:	-8.75(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(3-fluoropyridin-2-yl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CN1CCCC2=C1C=C(C=C2)S(=O)(=O)NC3=CNN=C3

DOS

IR

Vibrations