Geometry & MOs

Info

ID:	253942
PubChem CID:	103121741
Reduced:	SO3N4C12H16 (1)
Stoich.:	AB3C4D12E16 (1)
Weight, g/mol:	291.107987
ΔH_f, kcal/mol:	-68.46
Dipole, Da:	5.92
IP(EA), eV:	-9.03(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)NCCCS(=O)(=O)N

DOS

IR

Vibrations