Geometry & MOs

Info

ID:

425379

PubChem CID:

135126115

Reduced:

SN2O2C10H12 (1)

Stoich.:

AB2C2D10E12 (1)

Weight, g/mol:

524.170511

ΔHf, kcal/mol:

-13.72

Dipole, Da:

2.77

IP(EA), eV:

 -9.09(-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-(2-methoxypropoxy)pyrazin-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

CC(C)(C)OC(=O)C1=C(SC(=N1)N)C#C

DOS

IR

Vibrations