Geometry & MOs

Info

ID:	318083
PubChem CID:	126648904
Reduced:	SO3N5C13H13 (1)
Stoich.:	AB3C5D13E13 (1)
Weight, g/mol:	539.025552
ΔH_f, kcal/mol:	-2.02
Dipole, Da:	7.28
IP(EA), eV:	-8.99(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC=C1COC2=CC(=NC3=NNN=C23)N

DOS

IR

Vibrations