Geometry & MOs

Info

ID:	339845
PubChem CID:	127261854
Reduced:	NS2O5C6H11 (1)
Stoich.:	AB2C5D6E11 (1)
Weight, g/mol:	305.087492
ΔH_f, kcal/mol:	-223.02
Dipole, Da:	2.09
IP(EA), eV:	-8.98(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C([C@@H](C(=O)O)N)SSC[C@@H](C(=O)O)O

DOS

IR

Vibrations