Geometry & MOs

Info

ID:	425352
PubChem CID:	135126012
Reduced:	SF2N3O3C12H15 (1)
Stoich.:	AB2C3D3E12F15 (1)
Weight, g/mol:	536.131681
ΔH_f, kcal/mol:	-162.64
Dipole, Da:	4.78
IP(EA), eV:	-9.21(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-fluoro-5-[2-fluoro-2-[5-(2,2,3,3-tetrafluoropropoxy)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(N(C(=N1)N)C)(O)O)C2=C(C(=CC(=C2)C=O)F)F

DOS

IR

Vibrations