Geometry & MOs

Info

ID:

425254

PubChem CID:

135125657

Reduced:

BrSF2O3N6C24H25 (1)

Stoich.:

ABC2D3E6F24G25 (1)

Weight, g/mol:

594.08603

ΔHf, kcal/mol:

-80.05

Dipole, Da:

7.26

IP(EA), eV:

 -9.36(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-[2-[5-[2-(4-bromopyrazol-1-yl)ethoxy]pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

Drug info:

PubChemData

Smile

C[C@]1(CS(=O)(=O)C(C(=N1)N)(C)C)C2=C(C=CC(=C2)/C=C(/C3=CN=C(C=N3)OCCN4C=C(C=N4)Br)\F)F

DOS

IR

Vibrations