Geometry & MOs

Info

ID:

321750

PubChem CID:

126666935

Reduced:

F2O3N6H20C21 (1)

Stoich.:

A2B3C6D20E21 (1)

Weight, g/mol:

448.16706

ΔHf, kcal/mol:

-102.91

Dipole, Da:

9.33

IP(EA), eV:

 -9.13(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H](CN([C@H]1C2=CC(=CC=C2)F)C(=O)C3=C4C(=NN3)N=CN=C4N[C@@H]5C=C[C@H]([C@H]5O)O)F

DOS

IR

Vibrations