Geometry & MOs

Info

ID:

437649

PubChem CID:

135226756

Reduced:

OC10H10 (3)

Stoich.:

AB10C10 (3)

Weight, g/mol:

439.238353

ΔHf, kcal/mol:

-43.15

Dipole, Da:

2.56

IP(EA), eV:

 -8.52(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)OC3=CC=C(C=C3)OC4=CC=C(C=C4)OC(C)C

DOS

IR

Vibrations