Geometry & MOs

Info

ID:	383474
PubChem CID:	134975216
Reduced:	NNaSO5C12H16 (1)
Stoich.:	ABCD5E12F16 (1)
Weight, g/mol:	287.082744
ΔH_f, kcal/mol:	-222.37
Dipole, Da:	8.36
IP(EA), eV:	-9.7(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[acetyl(phenylmethoxy)amino]propane-1-sulfonic acid

Drug info:

PubChemData

Smile

CC(=O)N(CCCS(=O)(=O)[O-])OCC1=CC=CC=C1.[Na+]

DOS

IR

Vibrations