Geometry & MOs

Info

ID:

321804

PubChem CID:

126667001

Reduced:

F2O3N6C19H20 (1)

Stoich.:

A2B3C6D19E20 (1)

Weight, g/mol:

408.152158

ΔHf, kcal/mol:

-129.74

Dipole, Da:

5.73

IP(EA), eV:

 -9.41(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H]([C@@H](C1)O)NC2=NC=NC3=NNC(=C32)C(=O)N[C@H](CO)C4=C(C=CC(=C4)F)F

DOS

IR

Vibrations