Geometry & MOs

Info

ID:	52337
PubChem CID:	12015169
Reduced:	SO3C7H12 (1)
Stoich.:	AB3C7D12 (1)
Weight, g/mol:	250.12388
ΔH_f, kcal/mol:	-110.74
Dipole, Da:	2.92
IP(EA), eV:	-9.12(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-tert-butylperoxy-2-methylpropyl)sulfanylacetate

Drug info:

PubChemData

Smile

CC1(CO1)CSCC(=O)OC

DOS

IR

Vibrations