Geometry & MOs

Info

ID:	138788
PubChem CID:	52425273
Reduced:	SO3N5C25H25 (1)
Stoich.:	AB3C5D25E25 (1)
Weight, g/mol:	480.146741
ΔH_f, kcal/mol:	-18.36
Dipole, Da:	9.6
IP(EA), eV:	-9.2(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-1,1-dioxothiolan-3-yl]-6-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC3=C(C(=NN3[C@@H]4CCS(=O)(=O)C4)C)C(=C2)C(=O)NCC5=CC=CC=N5

DOS

IR

Vibrations