Geometry & MOs

Info

ID:	338172
PubChem CID:	127258864
Reduced:	MgN2C8O12H18 (1)
Stoich.:	AB2C8D12E18 (1)
Weight, g/mol:	247.048999
ΔH_f, kcal/mol:	-651.01
Dipole, Da:	7.4
IP(EA), eV:	-9.43(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-ethyl (2S)-2-aminopropanethioate;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C([C@@H](C(=O)[O-])N)C(=O)[O-].C([C@@H](C(=O)[O-])N)C(=O)[O-].O.O.O.O.[Mg+2]

DOS

IR

Vibrations