Geometry & MOs

Info

ID:	52335
PubChem CID:	12015167
Reduced:	SO3C7H12 (1)
Stoich.:	AB3C7D12 (1)
Weight, g/mol:	250.12388
ΔH_f, kcal/mol:	-110.59
Dipole, Da:	3.22
IP(EA), eV:	-9.16(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-tert-butylperoxybutylsulfanyl)acetate

Drug info:

PubChemData

Smile

CC1C(O1)CSCC(=O)OC

DOS

IR

Vibrations