Geometry & MOs

Info

ID:

321748

PubChem CID:

126666929

Reduced:

F2O2N6C19H20 (1)

Stoich.:

A2B2C6D19E20 (1)

Weight, g/mol:

447.122193

ΔHf, kcal/mol:

-91.09

Dipole, Da:

5.75

IP(EA), eV:

 -9.39(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2-chloro-5-fluoropyridin-3-yl)methyl]-4-[[(1S,2R,3S,4R,5R)-3,4-dihydroxy-2-bicyclo[3.1.0]hexanyl]amino]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC(=C1)F)F)NC(=O)C2=C3C(=NN2)N=CN=C3N[C@@H]4CCC[C@H]4O

DOS

IR

Vibrations