Geometry & MOs

Info

ID:	232986
PubChem CID:	87577877
Reduced:	NOSCl3C10H16 (1)
Stoich.:	ABCD3E10F16 (1)
Weight, g/mol:	256.109944
ΔH_f, kcal/mol:	-74.44
Dipole, Da:	4.05
IP(EA), eV:	-9.39(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-phenylpropaneperoxoate

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)SCC(=C(Cl)Cl)Cl

DOS

IR

Vibrations