Geometry & MOs

Info

ID:	226998
PubChem CID:	87559516
Reduced:	SO5C13H18 (1)
Stoich.:	AB5C13D18 (1)
Weight, g/mol:	550.35394
ΔH_f, kcal/mol:	-204.89
Dipole, Da:	3.53
IP(EA), eV:	-9.8(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2,3-didodecylbut-2-enedioic acid;sulfuric acid

Drug info:

PubChemData

Smile

CC1(OCC(O1)COS(=O)(=O)CC2=CC=CC=C2)C

DOS

IR

Vibrations