Geometry & MOs

Info

ID:	283920
PubChem CID:	104020724
Reduced:	SO3N4C10H18 (1)
Stoich.:	AB3C4D10E18 (1)
Weight, g/mol:	391.98039
ΔH_f, kcal/mol:	-95.81
Dipole, Da:	5.08
IP(EA), eV:	-10.34(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-iodophenyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide

Drug info:

PubChemData

Smile

CC(C)N1C(=NN=C1S(=O)(=O)N)C2CCCCO2

DOS

IR

Vibrations