Geometry & MOs

Info

ID:

436548

PubChem CID:

135205222

Reduced:

ClO2N4H21C22 (1)

Stoich.:

AB2C4D21E22 (1)

Weight, g/mol:

504.203365

ΔHf, kcal/mol:

-11.64

Dipole, Da:

3.6

IP(EA), eV:

 -8.96(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=C2CCN(C2=C1)C(=O)[C@@H]3CCCN3C#N)C4=CC=CC=C4Cl

DOS

IR

Vibrations