Geometry & MOs

Info

ID:	303296
PubChem CID:	124489476
Reduced:	FSO2N3C12H14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	249.111341
ΔH_f, kcal/mol:	-70.17
Dipole, Da:	5.16
IP(EA), eV:	-9.55(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-3-oxo-1-(pyridin-4-ylmethyl)piperazin-2-yl]acetic acid

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1CN)S(=O)(=O)C2=CC(=C(C=C2)F)C#N

DOS

IR

Vibrations