Geometry & MOs

Info

ID:	435291
PubChem CID:	135187873
Reduced:	F2N3H11C15 (1)
Stoich.:	A2B3C11D15 (1)
Weight, g/mol:	295.987876
ΔH_f, kcal/mol:	22.74
Dipole, Da:	3.75
IP(EA), eV:	-9.15(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-cyano-5-fluoro-6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]sulfanyl]acetic acid

Drug info:

PubChemData

Smile

C1CC1N2C(=CC3=CC(=C(C=C32)F)F)C4=CN=NC=C4

DOS

IR

Vibrations