Geometry & MOs

Info

ID:	229393
PubChem CID:	87567542
Reduced:	O2C8H15 (2)
Stoich.:	A2B8C15 (2)
Weight, g/mol:	668.281701
ΔH_f, kcal/mol:	-238.21
Dipole, Da:	1.54
IP(EA), eV:	-10.88(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,3-bis(4-octoxyphenyl)phenyl] trifluoromethanesulfonate;sulfane

Drug info:

PubChemData

Smile

CCC(CC)COC(=O)CCC(=O)OCC(CC)CC

DOS

IR

Vibrations