Geometry & MOs

Info

ID:	11329
PubChem CID:	114068
Reduced:	ClNSO3C12H20 (1)
Stoich.:	ABCD3E12F20 (1)
Weight, g/mol:	293.085242
ΔH_f, kcal/mol:	-143.68
Dipole, Da:	5.14
IP(EA), eV:	-9.28(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations