Geometry & MOs

Info

ID:	175699
PubChem CID:	75938857
Reduced:	SO2N3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	467.19574
ΔH_f, kcal/mol:	-32.49
Dipole, Da:	4.81
IP(EA), eV:	-8.67(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-ethoxyphenyl)ethyl]-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1SCC(=O)NC(C)C3=CC(=CC=C3)OCC

DOS

IR

Vibrations