Geometry & MOs

Info

ID:

321226

PubChem CID:

126665395

Reduced:

O3F5N6H17C19 (1)

Stoich.:

A3B5C6D17E19 (1)

Weight, g/mol:

470.132566

ΔHf, kcal/mol:

-275.32

Dipole, Da:

3.7

IP(EA), eV:

 -9.39(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]-N-[[5-fluoro-2-(trifluoromethoxy)phenyl]methyl]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C1COC[C@H]([C@@H]1O)NC2=NC=NC3=NNC(=C32)C(=O)N[C@@H](C4=C(C=CC(=C4)F)F)C(F)(F)F

DOS

IR

Vibrations