Geometry & MOs

Info

ID:	138796
PubChem CID:	52426533
Reduced:	N2S2O6H22C25 (1)
Stoich.:	A2B2C6D22E25 (1)
Weight, g/mol:	510.103162
ΔH_f, kcal/mol:	-104.92
Dipole, Da:	6.15
IP(EA), eV:	-8.33(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CSC(=N2)SCC3=CC=C(O3)C(=O)NC4=CC5=C(C=C4)OCCO5)OC

DOS

IR

Vibrations