Geometry & MOs

Info

ID:	366174
PubChem CID:	127319583
Reduced:	SN2O3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	398.141262
ΔH_f, kcal/mol:	-98.17
Dipole, Da:	4.74
IP(EA), eV:	-9.54(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)C2=C3CCCC3=NC4=CC=CC=C42

DOS

IR

Vibrations