Geometry & MOs

Info

ID:	283964
PubChem CID:	104022600
Reduced:	SO2N6C12H12 (1)
Stoich.:	AB2C6D12E12 (1)
Weight, g/mol:	248.094312
ΔH_f, kcal/mol:	49.97
Dipole, Da:	6.82
IP(EA), eV:	-9.37(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-ethoxypropyl)-4-methyl-1,2,4-triazole-3-sulfonamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1S(=O)(=O)N)C2=CN(N=C2)C3=CC=CC=C3

DOS

IR

Vibrations