Geometry & MOs

Info

ID:	138792
PubChem CID:	52425953
Reduced:	SN4O6C24H24 (1)
Stoich.:	AB4C6D24E24 (1)
Weight, g/mol:	498.092868
ΔH_f, kcal/mol:	-120.89
Dipole, Da:	11.06
IP(EA), eV:	-8.37(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-6-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CO3)C(=O)NC4=CC(=C(C=C4)OC)OC)[C@@H]5CCS(=O)(=O)C5

DOS

IR

Vibrations