Geometry & MOs

Info

ID:	325631
PubChem CID:	126684256
Reduced:	NO6C19H33 (1)
Stoich.:	AB6C19D33 (1)
Weight, g/mol:	147.046633
ΔH_f, kcal/mol:	-314.84
Dipole, Da:	6.67
IP(EA), eV:	-10.3(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-methylsulfanyl-1,2,4-triazolidin-3-one

Drug info:

PubChemData

Smile

C(CCCCCCC(=O)O)CCCCCC(=O)N[C@@H](CCC=O)C(=O)O

DOS

IR

Vibrations