Geometry & MOs

Info

ID:

436491

PubChem CID:

135204388

Reduced:

F4N4O5C29H30 (1)

Stoich.:

A4B4C5D29E30 (1)

Weight, g/mol:

521.218681

ΔHf, kcal/mol:

-366.76

Dipole, Da:

5.74

IP(EA), eV:

 -9.3(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H](C(F)(F)F)N(CC1=CC=C(C=C1)F)C(=O)CCN2C(=O)C3(CCC4=C3C=CC(=C4)NC(=O)C5(CNC5)C)OC2=O

DOS

IR

Vibrations