Geometry & MOs

Info

ID:	146478
PubChem CID:	53696212
Reduced:	O3C8H12 (1)
Stoich.:	A3B8C12 (1)
Weight, g/mol:	572.393303
ΔH_f, kcal/mol:	-116.65
Dipole, Da:	6.42
IP(EA), eV:	-10.23(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylhexyl 2-[1-[2-(2-ethylhexoxy)-2-oxoethyl]sulfanylcyclododecyl]sulfanylacetate

Drug info:

PubChemData

Smile

CC=CCC(C=CC(=O)O)O

DOS

IR

Vibrations