Geometry & MOs

Info

ID:	138774
PubChem CID:	52424542
Reduced:	N2O2S3C22H26 (1)
Stoich.:	A2B2C3D22E26 (1)
Weight, g/mol:	452.188212
ΔH_f, kcal/mol:	-19.85
Dipole, Da:	4.56
IP(EA), eV:	-8.8(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CC(C1)(C)C)NC(=O)C2=CC=C(O2)CSC3=NC(=CS3)C4=CC=CS4

DOS

IR

Vibrations