Geometry & MOs

Info

ID:

437636

PubChem CID:

135226743

Reduced:

FO2N5C23H30 (1)

Stoich.:

AB2C5D23E30 (1)

Weight, g/mol:

453.254003

ΔHf, kcal/mol:

-52.32

Dipole, Da:

3.46

IP(EA), eV:

 -8.63(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1S)-1-cyano-2-[2-fluoro-4-[1-(oxetan-3-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2CC1[C@H](N2)C(=O)N[C@@H](CC3=C(C=C(C=C3)N4CCN(CC4)C5COC5)F)C#N

DOS

IR

Vibrations