Geometry & MOs

Info

ID:

437643

PubChem CID:

135226750

Reduced:

FO2N4C24H31 (1)

Stoich.:

AB2C4D24E31 (1)

Weight, g/mol:

571.316998

ΔHf, kcal/mol:

-66.69

Dipole, Da:

4.85

IP(EA), eV:

 -9.09(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[[(2S)-1-amino-3-[2-fluoro-4-[1-(oxetan-3-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]phenyl]-1-oxopropan-2-yl]carbamoyl]-2-azabicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2COC2)C3=CC(=C(C=C3)C[C@@H](C#N)NC(=O)[C@@H]4C5CCC(C5)N4)F

DOS

IR

Vibrations