Geometry & MOs

Info

ID:	425473
PubChem CID:	135126448
Reduced:	SF2O2N5C20H21 (1)
Stoich.:	AB2C2D5E20F21 (1)
Weight, g/mol:	461.133317
ΔH_f, kcal/mol:	-61.89
Dipole, Da:	6.64
IP(EA), eV:	-9.34(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-fluoro-5-[2-fluoro-2-(5-prop-2-ynoxypyrazin-2-yl)ethenyl]pyridin-3-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

Drug info:

PubChemData

Smile

C[C@]1(CS(=O)(=O)N(C(=N1)N)C)C2=C(C=CC(=C2)/C=C(/C3=NC=C(N=C3)C4CC4)\F)F

DOS

IR

Vibrations