Geometry & MOs

Info

ID:

425221

PubChem CID:

135125565

Reduced:

BrSN2O2F4H15C20 (1)

Stoich.:

ABC2D2E4F15G20 (1)

Weight, g/mol:

488.01294

ΔHf, kcal/mol:

-201.77

Dipole, Da:

5.52

IP(EA), eV:

 -9.73(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-5-[5-[(Z)-2-(5-bromopyridin-2-yl)-2-fluoroethenyl]-2,3-difluorophenyl]-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)C(F)(F)F

DOS

IR

Vibrations