Geometry & MOs

Info

ID:

425259

PubChem CID:

135125689

Reduced:

FNaN3O3H19C21 (1)

Stoich.:

ABC3D3E19F21 (1)

Weight, g/mol:

481.159532

ΔHf, kcal/mol:

-11.15

Dipole, Da:

55.84

IP(EA), eV:

 -5.55(-2.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-5-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(2-methoxypropoxy)pyrazin-2-yl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

Drug info:

PubChemData

Smile

C1CC(C1)OC2=NC=CC(=C2)C3(CC(C3)C4=NC=C(C=C4)C5=CC(=NO5)[O-])F.[Na+]

DOS

IR

Vibrations