Geometry & MOs

Info

ID:

425327

PubChem CID:

135125943

Reduced:

SF2O3N5C22H25 (1)

Stoich.:

AB2C3D5E22F25 (1)

Weight, g/mol:

480.144296

ΔHf, kcal/mol:

-118.03

Dipole, Da:

7.95

IP(EA), eV:

 -9.19(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,4R,5S)-4-[5-[(Z)-2-(5-ethoxypyrazin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-1-(fluoromethyl)-4-methyl-8,8-dioxo-8lambda6-thia-3-azabicyclo[3.2.1]oct-2-en-2-amine

Drug info:

PubChemData

Smile

C[C@]1(CS(=O)(=O)N(C(=N1)N)C)C2=C(C=CC(=C2)/C=C(/C3=CN=C(C=N3)OCC4CCC4)\F)F

DOS

IR

Vibrations