Geometry & MOs

Info

ID:

425474

PubChem CID:

135126450

Reduced:

SF2O3N5C21H21 (1)

Stoich.:

AB2C3D5E21F21 (1)

Weight, g/mol:

524.170511

ΔHf, kcal/mol:

-71.71

Dipole, Da:

6.94

IP(EA), eV:

 -9.67(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,4R,5S)-4-[2-fluoro-5-[(Z)-2-fluoro-2-[5-[(2S)-1-methoxypropan-2-yl]oxypyrazin-2-yl]ethenyl]phenyl]-1-(fluoromethyl)-4-methyl-8,8-dioxo-8lambda6-thia-3-azabicyclo[3.2.1]oct-2-en-2-amine

Drug info:

PubChemData

Smile

CC1(C(=NC(CS1(=O)=O)(C)C2=C(N=CC(=C2)C=C(C3=CN=C(C=N3)OCC#C)F)F)N)C

DOS

IR

Vibrations