Geometry & MOs

Info

ID:

321758

PubChem CID:

126666947

Reduced:

FO2N3C10H11 (2)

Stoich.:

AB2C3D10E11 (2)

Weight, g/mol:

453.172479

ΔHf, kcal/mol:

-162.21

Dipole, Da:

5.35

IP(EA), eV:

 -9.14(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,5R)-5-(2,5-difluorophenyl)-1-[4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2H-pyrazolo[3,4-d]pyrimidine-3-carbonyl]pyrrolidine-3-carbonitrile

Drug info:

PubChemData

Smile

CN(CC1=C(C(=CC(=C1)F)F)OC)C(=O)C2=C3C(=NN2)N=CN=C3N[C@@H]4CC[C@H]([C@H]4O)O

DOS

IR

Vibrations