Geometry & MOs

Info

ID:

436549

PubChem CID:

135205226

Reduced:

FO3N8C25H25 (1)

Stoich.:

AB3C8D25E25 (1)

Weight, g/mol:

492.23975

ΔHf, kcal/mol:

-1.63

Dipole, Da:

3.54

IP(EA), eV:

 -8.78(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-tert-butyl-N-[1-[2-fluoro-4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C(=O)NCC2=C(C=C(C=C2)C3=C4C(=NC=C3)NN=C4N[C@@H]5CCN(C5)C(=O)C=C)F

DOS

IR

Vibrations