Geometry & MOs

Info

ID:	32073
PubChem CID:	4265956
Reduced:	ClN5O7H14C21 (1)
Stoich.:	AB5C7D14E21 (1)
Weight, g/mol:	456.140925
ΔH_f, kcal/mol:	-29.82
Dipole, Da:	16.42
IP(EA), eV:	-9.74(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-naphthalen-1-yl-N'-[[4-oxo-4-[3-(trifluoromethyl)anilino]butan-2-ylidene]amino]oxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NN=CC3=C(C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])O)Cl

DOS

IR

Vibrations