Geometry & MOs

Info

ID:	138798
PubChem CID:	52426604
Reduced:	SO4N5C26H33 (1)
Stoich.:	AB4C5D26E33 (1)
Weight, g/mol:	511.225326
ΔH_f, kcal/mol:	-99.31
Dipole, Da:	7.73
IP(EA), eV:	-8.94(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-6-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NC3=C(C(=NN3[C@H]4CCS(=O)(=O)C4)C)C(=C2)C(=O)NCCN5CCOCC5

DOS

IR

Vibrations