Geometry & MOs

Info

ID:

437646

PubChem CID:

135226753

Reduced:

FO2N4C24H29 (1)

Stoich.:

AB2C4D24E29 (1)

Weight, g/mol:

558.321749

ΔHf, kcal/mol:

-49.98

Dipole, Da:

7.37

IP(EA), eV:

 -9.17(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (1R,3S,4S)-3-[[(2R)-1-amino-2-[[2-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methyl]-3-oxopropan-2-yl]carbamoyl]-2-azabicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Smile

C1CC2CC1C(N2)C(=O)N[C@@H](CC3=C(C=C(C=C3)C4=CCN(CC4)C5COC5)F)C#N

DOS

IR

Vibrations