Geometry & MOs

Info

ID:	138793
PubChem CID:	52426032
Reduced:	ClFSO3N4H20C24 (1)
Stoich.:	ABCD3E4F20G24 (1)
Weight, g/mol:	504.183127
ΔH_f, kcal/mol:	-72.25
Dipole, Da:	7.14
IP(EA), eV:	-9.34(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-1,1-dioxothiolan-3-yl]-6-(4-methoxyphenyl)-3-methyl-N-[(1R)-1-phenylethyl]pyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3=CC=C(C=C3)F)C(=O)NC4=CC=CC=C4Cl)[C@@H]5CCS(=O)(=O)C5

DOS

IR

Vibrations