Geometry & MOs

Info

ID:

321799

PubChem CID:

126666993

Reduced:

F3O3N6C22H23 (1)

Stoich.:

A3B3C6D22E23 (1)

Weight, g/mol:

406.136508

ΔHf, kcal/mol:

-173.64

Dipole, Da:

9.48

IP(EA), eV:

 -8.94(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CO[C@H]1C[C@@H]([C@H](C1)O)NC2=NC=NC3=NNC(=C32)C(=O)N4C[C@H](C[C@@H]4C5=C(C=CC(=C5)F)F)F

DOS

IR

Vibrations