Geometry & MOs

Info

ID:

436500

PubChem CID:

135204591

Reduced:

F4N4O5H24C29 (1)

Stoich.:

A4B4C5D24E29 (1)

Weight, g/mol:

530.275387

ΔHf, kcal/mol:

-334.44

Dipole, Da:

2.65

IP(EA), eV:

 -9.67(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1R)-1-[4-[3-(4-acetamidopiperidin-1-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]ethyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C(F)(F)F)N(CC1=CC=C(C=C1)F)C(=O)CN2C(=O)[C@]3(CCC4=C3C=CC(=C4)C5=NC=CC(=C5)C(=O)N)OC2=O

DOS

IR

Vibrations