Geometry & MOs

Info

ID:	151328
PubChem CID:	53801075
Reduced:	NO2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	272.017701
ΔH_f, kcal/mol:	-73.48
Dipole, Da:	3.47
IP(EA), eV:	-9.31(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethylsulfonylsulfanyl-1-phenylpropane-1,2-dione

Drug info:

PubChemData

Smile

C=COC(=O)CCN(CC1=CC=CC=C1)CC(COC2=CC=CC=C2C#N)O

DOS

IR

Vibrations