Geometry & MOs

Info

ID:	435292
PubChem CID:	135187874
Reduced:	SN2O3F4H4C9 (1)
Stoich.:	AB2C3D4E4F9 (1)
Weight, g/mol:	295.987876
ΔH_f, kcal/mol:	-265.7
Dipole, Da:	5.69
IP(EA), eV:	-10.38(-2.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-cyano-6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]sulfanyl]-2-fluoroacetic acid

Drug info:

PubChemData

Smile

C(C(=O)O)SC1=C(C(=C(C(=O)N1)F)C(F)(F)F)C#N

DOS

IR

Vibrations