Geometry & MOs

Info

ID:

425382

PubChem CID:

135126123

Reduced:

BrFSN2O3H32C39 (1)

Stoich.:

ABCD2E3F32G39 (1)

Weight, g/mol:

423.117667

ΔHf, kcal/mol:

1.96

Dipole, Da:

6.35

IP(EA), eV:

 -9.33(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H](OC[C@]2(N=C(S1)NC(=O)C3=CC=CC=C3)C4=C(C=CC(=C4)Br)F)COC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations