Geometry & MOs

Info

ID:	65470
PubChem CID:	38671793
Reduced:	SN2F3O5C17H19 (1)
Stoich.:	AB2C3D5E17F19 (1)
Weight, g/mol:	332.184841
ΔH_f, kcal/mol:	-318.89
Dipole, Da:	7.39
IP(EA), eV:	-9.56(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(diethylamino)-1-oxopropan-2-yl] 1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CCN(CC1=CC=CO1)C(=O)CCNS(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations