Geometry & MOs

Info

ID:

436513

PubChem CID:

135204769

Reduced:

N4O4C21H22 (1)

Stoich.:

A4B4C21D22 (1)

Weight, g/mol:

573.261214

ΔHf, kcal/mol:

-118.15

Dipole, Da:

7.68

IP(EA), eV:

 -9.2(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1=NC=CC(=C1)C2=C3CCN(C3=CC=C2)C(=O)[C@@H]4CCCN4C(=O)O

DOS

IR

Vibrations