Geometry & MOs

Info

ID:	6829
PubChem CID:	70207
Reduced:	SO7C14H26 (1)
Stoich.:	AB7C14D26 (1)
Weight, g/mol:	338.139924
ΔH_f, kcal/mol:	-340.25
Dipole, Da:	2.83
IP(EA), eV:	-11.21(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dioxo-1,4-dipentoxybutane-2-sulfonic acid

Drug info:

PubChemData

Smile

CCCCCOC(=O)CC(C(=O)OCCCCC)S(=O)(=O)O

DOS

IR

Vibrations