Geometry & MOs

Info

ID:	297885
PubChem CID:	117636368
Reduced:	SO2F3N3C15H16 (1)
Stoich.:	AB2C3D3E15F16 (1)
Weight, g/mol:	181.037508
ΔH_f, kcal/mol:	-181.4
Dipole, Da:	10.08
IP(EA), eV:	-9.22(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxo-3-pyridin-4-yloxypropanoic acid

Drug info:

PubChemData

Smile

C/C(=N/S(=O)C(C)(C)C)/C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F

DOS

IR

Vibrations