Geometry & MOs

Info

ID:

425312

PubChem CID:

135125902

Reduced:

SF2O2N5C21H21 (1)

Stoich.:

AB2C2D5E21F21 (1)

Weight, g/mol:

491.135129

ΔHf, kcal/mol:

-60.27

Dipole, Da:

2.05

IP(EA), eV:

 -9.5(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-5-[2,3-difluoro-5-[(Z)-2-fluoro-2-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations