Geometry & MOs

Info

ID:

321751

PubChem CID:

126666936

Reduced:

FO2N3C10H11 (2)

Stoich.:

AB2C3D10E11 (2)

Weight, g/mol:

444.172145

ΔHf, kcal/mol:

-166.31

Dipole, Da:

6.05

IP(EA), eV:

 -9.0(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-[4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-2H-pyrazolo[3,4-d]pyrimidin-3-yl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations