Geometry & MOs

Info

ID:	167990
PubChem CID:	74910190
Reduced:	SO2N8C19H24 (1)
Stoich.:	AB2C8D19E24 (1)
Weight, g/mol:	427.179044
ΔH_f, kcal/mol:	45.81
Dipole, Da:	7.14
IP(EA), eV:	-8.62(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6-ethylsulfanyl-4-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-6-oxo-3H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCSC1=NC2=C(C=NN2CCNC(=O)C3C=CC(=O)N=N3)C(=N1)N4CCCCC4

DOS

IR

Vibrations