Geometry & MOs

Info

ID:	318084
PubChem CID:	126648905
Reduced:	Cl2S2O4N5H19C21 (1)
Stoich.:	A2B2C4D5E19F21 (1)
Weight, g/mol:	353.034938
ΔH_f, kcal/mol:	-27.62
Dipole, Da:	4.96
IP(EA), eV:	-9.15(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2-chloro-6-methylsulfonylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CSC1=C(C(=CC=C1)Cl)C=O.CS(=O)(=O)C1=C(C(=CC=C1)Cl)COC2=CC(=NC3=NNN=C23)N

DOS

IR

Vibrations