Geometry & MOs

Info

ID:

425095

PubChem CID:

135125160

Reduced:

SF2O3N4C24H26 (1)

Stoich.:

AB2C3D4E24F26 (1)

Weight, g/mol:

476.094152

ΔHf, kcal/mol:

-84.84

Dipole, Da:

9.26

IP(EA), eV:

 -9.19(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C#C)OC1=NC=C(N=C1)/C(=C/C2=CC(=C(C=C2)F)[C@@]3(CS(=O)(=O)C(C(=N3)N)(C)C)C)/F

DOS

IR

Vibrations