Geometry & MOs

Info

ID:	9135
PubChem CID:	86422
Reduced:	SCl2O4N5H13C14 (1)
Stoich.:	AB2C4D5E13F14 (1)
Weight, g/mol:	417.00653
ΔH_f, kcal/mol:	-56.79
Dipole, Da:	6.11
IP(EA), eV:	-9.33(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)Cl)NS(=O)(=O)C2=NN3C(=CC(=NC3=N2)OC)OC)Cl

DOS

IR

Vibrations