Geometry & MOs

Info

ID:	308571
PubChem CID:	126497061
Reduced:	PN2O3C12H19 (1)
Stoich.:	AB2C3D12E19 (1)
Weight, g/mol:	259.124215
ΔH_f, kcal/mol:	-123.49
Dipole, Da:	5.82
IP(EA), eV:	-8.85(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dibutyl-2-methyl-1,1-dioxo-1,2-thiazol-3-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=CC(=C1)COP)CO)NC

DOS

IR

Vibrations