Geometry & MOs

Info

ID:

376434

PubChem CID:

134222447

Reduced:

O3N8C32H36 (1)

Stoich.:

A3B8C32D36 (1)

Weight, g/mol:

485.253923

ΔHf, kcal/mol:

27.49

Dipole, Da:

5.46

IP(EA), eV:

 -8.89(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=NO1)[C@H](C(=O)NC2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC=C(C=C5)OC6=CC=CC=C6)N)N

DOS

IR

Vibrations