Geometry & MOs

Info

ID:	366123
PubChem CID:	127319484
Reduced:	NSO3C16H17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	336.125612
ΔH_f, kcal/mol:	-97.01
Dipole, Da:	7.54
IP(EA), eV:	-9.35(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations