Geometry & MOs

Info

ID:	156312
PubChem CID:	56370050
Reduced:	SO2N7H17C19 (1)
Stoich.:	AB2C7D17E19 (1)
Weight, g/mol:	419.159354
ΔH_f, kcal/mol:	90.37
Dipole, Da:	5.07
IP(EA), eV:	-8.7(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[3,4-b]pyridine-4-carbonyl]-methylamino]acetate

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)SCC2=CC(=CC=C2)NC(=O)CCC3=NC(=NO3)C4=NC=NN4

DOS

IR

Vibrations