Geometry & MOs

Info

ID:

321703

PubChem CID:

126666825

Reduced:

ClO3N6C19H25 (1)

Stoich.:

AB3C6D19E25 (1)

Weight, g/mol:

436.147073

ΔHf, kcal/mol:

-42.89

Dipole, Da:

6.83

IP(EA), eV:

 -9.45(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=CCCC(=C1)Cl)C(=O)C2=NNC3=NC=NC(C23)N[C@@H]4CC[C@H]([C@H]4O)O

DOS

IR

Vibrations