Geometry & MOs

Info

ID:	182512
PubChem CID:	76898343
Reduced:	SO3N4C13H14 (1)
Stoich.:	AB3C4D13E14 (1)
Weight, g/mol:	190.088832
ΔH_f, kcal/mol:	-79.62
Dipole, Da:	5.87
IP(EA), eV:	-9.15(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-amino-3-methylsulfanylpropyl)-1,2,4-triazolidin-3-one

Drug info:

PubChemData

Smile

CC1CC(=O)NC(N1)SC2=C(N3C=CC=CC3=N2)C(=O)O

DOS

IR

Vibrations