Geometry & MOs

Info

ID:	210018
PubChem CID:	80751258
Reduced:	NSCl2O5C9H9 (1)
Stoich.:	ABC2D5E9F9 (1)
Weight, g/mol:	278.090272
ΔH_f, kcal/mol:	-194.29
Dipole, Da:	5.33
IP(EA), eV:	-10.22(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-hydroxy-2-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)S(=O)(=O)N[C@H](CO)C(=O)O)Cl

DOS

IR

Vibrations