Geometry & MOs

Info

ID:

321829

PubChem CID:

126667051

Reduced:

F2O2N3C10H12 (2)

Stoich.:

A2B2C3D10E12 (2)

Weight, g/mol:

510.163866

ΔHf, kcal/mol:

-314.1

Dipole, Da:

8.69

IP(EA), eV:

 -9.21(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations