Geometry & MOs

Info

ID:	337599
PubChem CID:	127258222
Reduced:	NO5C6H11 (1)
Stoich.:	AB5C6D11 (1)
Weight, g/mol:	279.033207
ΔH_f, kcal/mol:	-199.16
Dipole, Da:	1.33
IP(EA), eV:	-10.52(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-3-(3-methylsulfonylphenyl)propanoic acid;hydrochloride

Drug info:

PubChemData

Smile

C([C@H]([C@@H]([C@H]([C@H](C#N)O)O)O)O)O

DOS

IR

Vibrations