Geometry & MOs

Info

ID:	283934
PubChem CID:	104021691
Reduced:	SO3N4C9H18 (1)
Stoich.:	AB3C4D9E18 (1)
Weight, g/mol:	377.96474
ΔH_f, kcal/mol:	-92.29
Dipole, Da:	4.53
IP(EA), eV:	-10.19(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOCCC1=NN=C(N1CC)S(=O)(=O)N

DOS

IR

Vibrations