Geometry & MOs

Info

ID:	426602
PubChem CID:	135151728
Reduced:	N3O5C21H21 (1)
Stoich.:	A3B5C21D21 (1)
Weight, g/mol:	369.096085
ΔH_f, kcal/mol:	-48.03
Dipole, Da:	6.96
IP(EA), eV:	-9.86(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[2-(4-nitrophenyl)ethynyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C(C(=O)OC)NC(=O)C1=CC=C(C=C1)C#CC2=CC=C(C=C2)[N+](=O)[O-])N

DOS

IR

Vibrations