Geometry & MOs

Info

ID:

425468

PubChem CID:

135126425

Reduced:

SF3O3N6H23C26 (1)

Stoich.:

AB3C3D6E23F26 (1)

Weight, g/mol:

538.106865

ΔHf, kcal/mol:

-149.22

Dipole, Da:

8.95

IP(EA), eV:

 -8.81(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=NC=CC(=C2)C(F)(F)F)C#CC3=CN=C(S3)NC(=O)N4CCN(CC4)C(=O)C

DOS

IR

Vibrations