Geometry & MOs

Info

ID:	339056
PubChem CID:	127260067
Reduced:	FS2O6C22H29 (1)
Stoich.:	AB2C6D22E29 (1)
Weight, g/mol:	314.082409
ΔH_f, kcal/mol:	-280.36
Dipole, Da:	5.46
IP(EA), eV:	-10.3(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxy-5,5-dimethyl-2-oxooxolan-3-yl)methyl benzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)OCCCCCCC(CCCOS(=O)(=O)C2=CC=CC=C2)F

DOS

IR

Vibrations