Geometry & MOs

Info

ID:	339982
PubChem CID:	127261991
Reduced:	NO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	280.088164
ΔH_f, kcal/mol:	-152.66
Dipole, Da:	5.32
IP(EA), eV:	-9.79(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-phenyl-2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C[C@H](C(=O)O)N[C@@H](CC1=CC=CC=C1)C(=O)O

DOS

IR

Vibrations