Geometry & MOs

Info

ID:	155388
PubChem CID:	56353031
Reduced:	SO2F3N6H15C19 (1)
Stoich.:	AB2C3D6E15F19 (1)
Weight, g/mol:	448.185903
ΔH_f, kcal/mol:	-71.15
Dipole, Da:	7.08
IP(EA), eV:	-9.79(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCNC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations