Geometry & MOs

Info

ID:	436540
PubChem CID:	135205074
Reduced:	FO3N5C18H20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	478.2241
ΔH_f, kcal/mol:	-89.81
Dipole, Da:	12.95
IP(EA), eV:	-9.32(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-N-[[3-fluoro-5-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC(=C1)F)OC(C)CN)NC2=NC3=C(C=NN3C=C2)C(=O)O

DOS

IR

Vibrations