Geometry & MOs

Info

ID:	139386
PubChem CID:	52521059
Reduced:	FSO2N3C20H20 (1)
Stoich.:	ABC2D3E20F20 (1)
Weight, g/mol:	449.24269
ΔH_f, kcal/mol:	-71.89
Dipole, Da:	4.87
IP(EA), eV:	-8.86(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2-(1,4,6-trimethylpyrazolo[3,4-b]pyridin-3-yl)oxyacetamide

Drug info:

PubChemData

Smile

C[C@@H]1C2=CC=CN2CCN1C(=O)CN3C(=C(SC3=O)C)C4=CC=C(C=C4)F

DOS

IR

Vibrations