Geometry & MOs

Info

ID:	244684
PubChem CID:	99376400
Reduced:	SO2N5C22H27 (1)
Stoich.:	AB2C5D22E27 (1)
Weight, g/mol:	460.222289
ΔH_f, kcal/mol:	-43.29
Dipole, Da:	5.44
IP(EA), eV:	-9.17(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,5-dimethylfuran-3-yl)-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=C12)C)C(C)(C)C)C(=O)NCCC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations