Geometry & MOs

Info

ID:	52343
PubChem CID:	12015175
Reduced:	SO3C9H16 (1)
Stoich.:	AB3C9D16 (1)
Weight, g/mol:	278.15518
ΔH_f, kcal/mol:	-128.18
Dipole, Da:	3.04
IP(EA), eV:	-9.06(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-tert-butylperoxy-2,3-dimethylbutyl)sulfanylacetate

Drug info:

PubChemData

Smile

CC1(C(O1)(C)CSCC(=O)OC)C

DOS

IR

Vibrations