Geometry & MOs

Info

ID:	89752
PubChem CID:	49964297
Reduced:	N3O5C30H33 (1)
Stoich.:	A3B5C30D33 (1)
Weight, g/mol:	289.059124
ΔH_f, kcal/mol:	85.08
Dipole, Da:	4.18
IP(EA), eV:	-8.5(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

ethyl 3-hydroxy-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoate;chloride

Drug info:

PubChemData

Smile

C1C[NH+](CC[NH+]1C/C=C/C2=CC=CC=C2)CC(CN3C4=CC=CC=C4C5=CC=CC=C53)O.C(=O)(C(=O)[O-])[O-]

DOS

IR

Vibrations