Geometry & MOs

Info

ID:

321709

PubChem CID:

126666840

Reduced:

ClFO3N7C19H21 (1)

Stoich.:

ABC3D7E19F21 (1)

Weight, g/mol:

450.121859

ΔHf, kcal/mol:

-78.91

Dipole, Da:

8.32

IP(EA), eV:

 -9.02(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations