Geometry & MOs

Info

ID:	45448
PubChem CID:	10513576
Reduced:	ClSO3C8H17 (1)
Stoich.:	ABC3D8E17 (1)
Weight, g/mol:	229.110279
ΔH_f, kcal/mol:	-165.79
Dipole, Da:	3.9
IP(EA), eV:	-11.18(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(N-prop-2-enylanilino)-4H-pyran-3-one

Drug info:

PubChemData

Smile

CCCCCCC(C)OS(=O)(=O)Cl

DOS

IR

Vibrations