Geometry & MOs

Info

ID:	208309
PubChem CID:	80516885
Reduced:	O2F3N3C8H8 (1)
Stoich.:	A2B3C3D8E8 (1)
Weight, g/mol:	309.078327
ΔH_f, kcal/mol:	-187.65
Dipole, Da:	3.28
IP(EA), eV:	-10.0(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-cyano-6-methylpyridin-2-yl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid

Drug info:

PubChemData

Smile

CN(CC(F)(F)F)C1=C(C=CN=N1)C(=O)O

DOS

IR

Vibrations