Geometry & MOs

Info

ID:

425271

PubChem CID:

135125742

Reduced:

SF3O4N6H19C21 (1)

Stoich.:

AB3C4D6E19F21 (1)

Weight, g/mol:

431.122752

ΔHf, kcal/mol:

-156.71

Dipole, Da:

6.09

IP(EA), eV:

 -9.55(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-methylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1(CS(=O)(=O)N(C(=N1)N)C)C2=C(C(=CC(=C2)C=C(C3=CN=C(C=N3)OCC4=COC=N4)F)F)F

DOS

IR

Vibrations