Geometry & MOs

Info

ID:

437624

PubChem CID:

135226731

Reduced:

FN5O5C30H42 (1)

Stoich.:

AB5C5D30E42 (1)

Weight, g/mol:

539.290783

ΔHf, kcal/mol:

-247.58

Dipole, Da:

2.75

IP(EA), eV:

 -8.39(0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[[(1S)-1-cyano-2-[2-fluoro-4-[6-(oxetan-3-yl)-2,6-diazaspiro[3.3]heptan-2-yl]phenyl]ethyl]carbamoyl]-2-azabicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@@H](C2CCC1C2)C(=O)N[C@@H](CC3=C(C=C(C=C3)N4CCC5C4CCN5C6COC6)F)C(=O)N

DOS

IR

Vibrations