Geometry & MOs

Info

ID:

436521

PubChem CID:

135204799

Reduced:

N3F4O6H25C26 (1)

Stoich.:

A3B4C6D25E26 (1)

Weight, g/mol:

520.234665

ΔHf, kcal/mol:

-396.38

Dipole, Da:

1.09

IP(EA), eV:

 -9.01(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[4-[3-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(F)(F)F)N(CC1=CC=C(C=C1)F)C(=O)CN2CO[C@@]3(C2=O)C(=O)CC4=C3C=CC(=C4)NC(=O)COC

DOS

IR

Vibrations