Geometry & MOs

Info

ID:	47173
PubChem CID:	10530223
Reduced:	ClSN2O6H25C26 (1)
Stoich.:	ABC2D6E25F26 (1)
Weight, g/mol:	154.062994
ΔH_f, kcal/mol:	-10.77
Dipole, Da:	8.06
IP(EA), eV:	-9.63(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-3-hydroxy-6-methylpyran-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=[N+]1CCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations