Geometry & MOs

Info

ID:

436509

PubChem CID:

135204692

Reduced:

FO3N7C30H34 (1)

Stoich.:

AB3C7D30E34 (1)

Weight, g/mol:

550.24523

ΔHf, kcal/mol:

-32.73

Dipole, Da:

5.62

IP(EA), eV:

 -8.49(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CC[C@H](CN1C2=NNC3=NC=CC(=C32)C4=CC(=C(C=C4)CNC(=O)C5=NOC(=C5)C(C)(C)C)F)NC(=O)C=C

DOS

IR

Vibrations