Geometry & MOs

Info

ID:	327361
PubChem CID:	126689685
Reduced:	NO4C20H39 (1)
Stoich.:	AB4C20D39 (1)
Weight, g/mol:	434.317829
ΔH_f, kcal/mol:	-239.97
Dipole, Da:	10.32
IP(EA), eV:	-9.23(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(dodecylamino)-5-oxopentyl]-dimethylazaniumyl]propane-1-sulfonate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC(=O)CCCC(C(=O)[O-])[NH+](C)C

DOS

IR

Vibrations