Geometry & MOs

Info

ID:	408250
PubChem CID:	135081012
Reduced:	CoH5O6C7 (1)
Stoich.:	AB5C6D7 (1)
Weight, g/mol:	191.058243
ΔH_f, kcal/mol:	-169.33
Dipole, Da:	23.52
IP(EA), eV:	-10.44(-6.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-cyano-2-hydroxy-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C(CO)[C-]=O.[Co]

DOS

IR

Vibrations