Geometry & MOs

Info

ID:	138781
PubChem CID:	52425137
Reduced:	SN4O4C24H30 (1)
Stoich.:	AB4C4D24E30 (1)
Weight, g/mol:	474.172562
ΔH_f, kcal/mol:	-98.65
Dipole, Da:	9.67
IP(EA), eV:	-9.3(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCCCC1)C(=O)C2=CC(=NC3=C2C(=NN3[C@@H]4CCS(=O)(=O)C4)C)C5=CC=CO5

DOS

IR

Vibrations