Geometry & MOs

Info

ID:	216453
PubChem CID:	85086258
Reduced:	SO4C13H18 (1)
Stoich.:	AB4C13D18 (1)
Weight, g/mol:	270.09258
ΔH_f, kcal/mol:	-150.93
Dipole, Da:	6.13
IP(EA), eV:	-10.18(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methyl-2-(oxiran-2-yl)propyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C)C=C)O

DOS

IR

Vibrations