Geometry & MOs

Info

ID:	318394
PubChem CID:	126651088
Reduced:	BrNOC9H14 (1)
Stoich.:	ABCD9E14 (1)
Weight, g/mol:	454.161328
ΔH_f, kcal/mol:	9.39
Dipole, Da:	2.36
IP(EA), eV:	-9.01(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;4-dodecoxy-2-ethoxy-4-oxo-3-sulfonatobutanoate

Drug info:

PubChemData

Smile

CC(C)(CN1CC(C1)C#CBr)O

DOS

IR

Vibrations