Geometry & MOs

Info

ID:	138791
PubChem CID:	52425697
Reduced:	SO3N4C27H28 (1)
Stoich.:	AB3C4D27E28 (1)
Weight, g/mol:	496.141656
ΔH_f, kcal/mol:	-33.0
Dipole, Da:	8.19
IP(EA), eV:	-9.28(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethoxyphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-6-(furan-2-yl)-3-methylpyrazolo[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)NCC5=CC=CC=C5

DOS

IR

Vibrations