Geometry & MOs

Info

ID:	54111
PubChem CID:	14720199
Reduced:	F2N4O7C24H30 (1)
Stoich.:	A2B4C7D24E30 (1)
Weight, g/mol:	368.041129
ΔH_f, kcal/mol:	-300.88
Dipole, Da:	7.9
IP(EA), eV:	-9.68(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chlorophenoxy)ethyl]-2,4,6-trihydroxy-3-nitrobenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NCCCC[C@@H](C(C(CN)(F)F)O)NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations