Geometry & MOs

Info

ID:	435293
PubChem CID:	135187875
Reduced:	SN2O3F4H4C9 (1)
Stoich.:	AB2C3D4E4F9 (1)
Weight, g/mol:	363.067762
ΔH_f, kcal/mol:	-270.37
Dipole, Da:	3.5
IP(EA), eV:	-10.26(-2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-cyano-6-oxo-4-phenyl-1H-pyridin-2-yl)sulfanylmethyl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(C(=C(NC1=O)SC(C(=O)O)F)C#N)C(F)(F)F

DOS

IR

Vibrations