Geometry & MOs

Info

ID:	36108
PubChem CID:	7980773
Reduced:	ClN2O5H13C19 (1)
Stoich.:	AB2C5D13E19 (1)
Weight, g/mol:	395.058084
ΔH_f, kcal/mol:	-65.34
Dipole, Da:	8.23
IP(EA), eV:	-9.57(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations