Geometry & MOs

Info

ID:	54446
PubChem CID:	17388688
Reduced:	NNaO3C9H10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	418.152872
ΔH_f, kcal/mol:	-161.28
Dipole, Da:	7.0
IP(EA), eV:	-8.85(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-[[2-[4-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]phenyl]acetyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(C(=O)[O-])N)O.[Na+]

DOS

IR

Vibrations