Geometry & MOs

Info

ID:	11330
PubChem CID:	114069
Reduced:	NSO3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	257.108565
ΔH_f, kcal/mol:	-103.33
Dipole, Da:	5.52
IP(EA), eV:	-8.92(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(diethylamino)ethylsulfanylmethyl]-5-hydroxypyran-4-one

Drug info:

PubChemData

Smile

CCN(CC)CCSCC1=CC(=O)C(=CO1)O

DOS

IR

Vibrations