Geometry & MOs

Info

ID:	383473
PubChem CID:	134975215
Reduced:	O4C15H28 (1)
Stoich.:	A4B15C28 (1)
Weight, g/mol:	309.064688
ΔH_f, kcal/mol:	-224.84
Dipole, Da:	6.53
IP(EA), eV:	-9.65(1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;3-[acetyl(phenylmethoxy)amino]propane-1-sulfonate

Drug info:

PubChemData

Smile

C[C@H]([C@]1(CC[C@H](O1)[C@@]2(CC[C@@H](O2)C(C)(C)O)C)C)O

DOS

IR

Vibrations