Geometry & MOs

Info

ID:	392148
PubChem CID:	135013329
Reduced:	SO5C20H24 (1)
Stoich.:	AB5C20D24 (1)
Weight, g/mol:	216.099774
ΔH_f, kcal/mol:	-126.86
Dipole, Da:	4.66
IP(EA), eV:	-8.95(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-acetyloxyoxan-2-yl)methyl acetate

Drug info:

PubChemData

Smile

CS(=O)(=O)OCCC#CC1=CC=CC=C1C#CCCOC2CCCCO2

DOS

IR

Vibrations