Geometry & MOs

Info

ID:	210019
PubChem CID:	80751554
Reduced:	N2O5C13H14 (1)
Stoich.:	A2B5C13D14 (1)
Weight, g/mol:	301.098394
ΔH_f, kcal/mol:	-146.58
Dipole, Da:	2.98
IP(EA), eV:	-9.57(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-hydroxy-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid

Drug info:

PubChemData

Smile

C1C(ON=C1C2=CC=CC=C2)C(=O)N[C@H](CO)C(=O)O

DOS

IR

Vibrations