Geometry & MOs

Info

ID:

436508

PubChem CID:

135204690

Reduced:

N3O4C26H27 (1)

Stoich.:

A3B4C26D27 (1)

Weight, g/mol:

559.270716

ΔHf, kcal/mol:

-66.42

Dipole, Da:

7.14

IP(EA), eV:

 -9.84(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-tert-butyl-N-[[2-fluoro-4-[3-[(2S,5R)-2-methyl-5-(prop-2-enoylamino)piperidin-1-yl]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1CC1)N(CC2=CC=CC=C2)C(=O)CN3CC4(CCC5C4=CC=C(C5=O)C#N)OC3=O

DOS

IR

Vibrations