Geometry & MOs

Info

ID:	137996
PubChem CID:	52297227
Reduced:	SO3N4C22H24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	432.167179
ΔH_f, kcal/mol:	-46.33
Dipole, Da:	6.37
IP(EA), eV:	-8.84(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1,4-dimethyl-3-oxo-5-[3-oxo-3-[(2-phenoxypyridin-4-yl)methylamino]propyl]-2H-pyrazolo[3,4-b]pyridin-6-olate

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C(=O)NC2=NC(=CS2)CC(=O)N[C@H]3CCN(C3)CC4=CC=CC=C4

DOS

IR

Vibrations