Geometry & MOs

Info

ID:

376430

PubChem CID:

134222443

Reduced:

FO3N8H33C35 (1)

Stoich.:

AB3C8D33E35 (1)

Weight, g/mol:

499.269573

ΔHf, kcal/mol:

-39.53

Dipole, Da:

4.66

IP(EA), eV:

 -8.4(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)N2CCC3=CC=CC=C3C2)NC(=O)C4CC(CN4C(=O)CN5C6=C(C=C(C=C6)C7=CN=CC=C7)C(=N5)C(=O)N)F

DOS

IR

Vibrations