Geometry & MOs

Info

ID:	183597
PubChem CID:	77044359
Reduced:	SO3N4C13H14 (1)
Stoich.:	AB3C4D13E14 (1)
Weight, g/mol:	248.073182
ΔH_f, kcal/mol:	-28.42
Dipole, Da:	5.46
IP(EA), eV:	-10.31(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-thiophen-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)C=CC(=O)NCCC2=NC=NN2

DOS

IR

Vibrations