Geometry & MOs

Info

ID:

425472

PubChem CID:

135126442

Reduced:

SF3O4N6C23H23 (1)

Stoich.:

AB3C4D6E23F23 (1)

Weight, g/mol:

433.138402

ΔHf, kcal/mol:

-175.03

Dipole, Da:

8.88

IP(EA), eV:

 -9.42(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-5-[5-[(Z)-2-(5-cyclopropylpyrazin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C)COC2=NC=C(N=C2)/C(=C/C3=CC(=C(C(=C3)F)F)[C@@]4(CS(=O)(=O)N(C(=N4)N)C)C)/F

DOS

IR

Vibrations