Geometry & MOs

Info

ID:	327348
PubChem CID:	126689639
Reduced:	NSO5C19H39 (1)
Stoich.:	ABC5D19E39 (1)
Weight, g/mol:	450.312744
ΔH_f, kcal/mol:	-269.37
Dipole, Da:	8.66
IP(EA), eV:	-8.74(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-(dodecylamino)-5-oxopentyl]-dimethylazaniumyl]-2-hydroxypropane-1-sulfonate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC(=O)C[N+](C)(C)CCCS(=O)(=O)[O-]

DOS

IR

Vibrations