Geometry & MOs

Info

ID:

436494

PubChem CID:

135204438

Reduced:

F4N4O5H26C30 (1)

Stoich.:

A4B4C5D26E30 (1)

Weight, g/mol:

619.303079

ΔHf, kcal/mol:

-334.32

Dipole, Da:

4.02

IP(EA), eV:

 -9.71(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-tert-butyl-N-[[2-fluoro-4-[3-[[(3R,6S)-6-methyl-1-(morpholine-4-carbonyl)piperidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-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=CN=C(C=C5)C(=O)NC)OC2=O

DOS

IR

Vibrations