Geometry & MOs

Info

ID:	425283
PubChem CID:	135125805
Reduced:	F2O2S2N5H15C17 (1)
Stoich.:	A2B2C2D5E15F17 (1)
Weight, g/mol:	503.143882
ΔH_f, kcal/mol:	-48.82
Dipole, Da:	3.77
IP(EA), eV:	-9.59(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-fluoro-5-[2-fluoro-2-[5-(1,3-oxazol-2-ylmethoxy)pyrazin-2-yl]ethenyl]phenyl]-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(=CS3)C#N)\F)F

DOS

IR

Vibrations