Geometry & MOs

Info

ID:	184250
PubChem CID:	77133898
Reduced:	Cl2N2O3C8H12 (1)
Stoich.:	A2B2C3D8E12 (1)
Weight, g/mol:	202.088832
ΔH_f, kcal/mol:	-153.1
Dipole, Da:	5.18
IP(EA), eV:	-10.27(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(thiomorpholin-3-ylmethyl)-1,2,4-triazolidin-3-one

Drug info:

PubChemData

Smile

C1C(C(=O)NC(=O)N1CCOCCCl)Cl

DOS

IR

Vibrations