Geometry & MOs

Info

ID:

425091

PubChem CID:

135125152

Reduced:

SO3F4N4H20C22 (1)

Stoich.:

AB3C4D4E20F22 (1)

Weight, g/mol:

490.128646

ΔHf, kcal/mol:

-156.6

Dipole, Da:

5.28

IP(EA), eV:

 -9.34(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,4R,5S)-4-[2-fluoro-5-[(Z)-2-fluoro-2-(5-prop-2-ynoxypyrazin-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(C(S1(=O)=O)(F)F)(C)C2=C(C=CC(=C2)C=C(C3=CN=C(C=N3)OCC#C)F)F)N)C

DOS

IR

Vibrations