Geometry & MOs

Info

ID:	229781
PubChem CID:	87568987
Reduced:	NO7C17H17 (1)
Stoich.:	AB7C17D17 (1)
Weight, g/mol:	239.079373
ΔH_f, kcal/mol:	-240.49
Dipole, Da:	3.31
IP(EA), eV:	-8.69(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-[[(1Z)-1-(2-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C([C@@](C(=O)O)(/N=C/CC2=C(C=CC(=C2)O)O)O)O)O

DOS

IR

Vibrations