Geometry & MOs

Info

ID:	327006
PubChem CID:	126688841
Reduced:	NSO4C7H15 (1)
Stoich.:	ABC4D7E15 (1)
Weight, g/mol:	423.265459
ΔH_f, kcal/mol:	-155.86
Dipole, Da:	8.56
IP(EA), eV:	-10.09(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-dodecoxy-1-oxopropan-2-yl)-dimethylazaniumyl]-2-hydroxypropane-1-sulfonate

Drug info:

PubChemData

Smile

CCC(CC=O)([NH+](C)C)S(=O)(=O)[O-]

DOS

IR

Vibrations