Geometry & MOs

Info

ID:	366233
PubChem CID:	127319690
Reduced:	SN3O4C16H19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	350.141262
ΔH_f, kcal/mol:	-146.49
Dipole, Da:	3.08
IP(EA), eV:	-8.98(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)N(C=N2)CC(=O)NC3CCCS(=O)(=O)C3

DOS

IR

Vibrations