Geometry & MOs

Info

ID:	230043
PubChem CID:	87569928
Reduced:	O2C6H11 (2)
Stoich.:	A2B6C11 (2)
Weight, g/mol:	458.135902
ΔH_f, kcal/mol:	-167.33
Dipole, Da:	2.34
IP(EA), eV:	-10.02(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dioxopyrrol-1-yl)-2,5-dioxo-3-undecanoyloxypyrrolidine-3-sulfonic acid

Drug info:

PubChemData

Smile

CC1CO1.CC(=C)C(=O)OCC(C)(C)CO

DOS

IR

Vibrations