Geometry & MOs

Info

ID:	138779
PubChem CID:	52425135
Reduced:	SN4O4C24H30 (1)
Stoich.:	AB4C4D24E30 (1)
Weight, g/mol:	470.198777
ΔH_f, kcal/mol:	-108.84
Dipole, Da:	5.16
IP(EA), eV:	-9.03(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3=CC=C(C=C3)OC)C(=O)NCCC(C)C)[C@@H]4CCS(=O)(=O)C4

DOS

IR

Vibrations