Geometry & MOs

Info

ID:

378369

PubChem CID:

134224448

Reduced:

O2N7C29H37 (1)

Stoich.:

A2B7C29D37 (1)

Weight, g/mol:

582.306687

ΔHf, kcal/mol:

9.13

Dipole, Da:

2.08

IP(EA), eV:

 -8.86(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-amino-1-[[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]amino]-2-(5-tert-butyl-1,2-oxazol-3-yl)ethanol

Drug info:

PubChemData

Smile

CC(C)[C@H](C(NC1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N)O)NC

DOS

IR

Vibrations