Geometry & MOs

Info

ID:

425297

PubChem CID:

135125862

Reduced:

SO2F3N5H16C21 (1)

Stoich.:

AB2C3D5E16F21 (1)

Weight, g/mol:

505.13438

ΔHf, kcal/mol:

-108.17

Dipole, Da:

1.37

IP(EA), eV:

 -8.43(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-5-[2-fluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,3,4-oxadiazol-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)NC(=O)C2=NC=CC(=C2)C(F)(F)F)C#CC3=CN=C(S3)NC(=O)NC

DOS

IR

Vibrations