Geometry & MOs

Info

ID:	138783
PubChem CID:	52425245
Reduced:	SO3N4C26H26 (1)
Stoich.:	AB3C4D26E26 (1)
Weight, g/mol:	474.172562
ΔH_f, kcal/mol:	-33.45
Dipole, Da:	8.89
IP(EA), eV:	-8.89(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)C2=CC(=NC3=C2C(=NN3[C@@H]4CCS(=O)(=O)C4)C)C5=CC=CC=C5

DOS

IR

Vibrations