Geometry & MOs

Info

ID:	426603
PubChem CID:	135151729
Reduced:	NO2H5C6 (3)
Stoich.:	AB2C5D6 (3)
Weight, g/mol:	423.179421
ΔH_f, kcal/mol:	-42.17
Dipole, Da:	3.78
IP(EA), eV:	-9.86(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[2-(4-morpholin-4-ylphenyl)ethynyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N[C@@H](CO)C(=O)NO

DOS

IR

Vibrations