Geometry & MOs

Info

ID:

376428

PubChem CID:

134222441

Reduced:

O3N8C27H30 (1)

Stoich.:

A3B8C27D30 (1)

Weight, g/mol:

500.253589

ΔHf, kcal/mol:

-15.21

Dipole, Da:

6.18

IP(EA), eV:

 -8.68(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-hydroxy-4-methylpentan-1-one

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)[C@@H](CCC(=O)N)N)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N

DOS

IR

Vibrations