Geometry & MOs

Info

ID:	54662
PubChem CID:	17389060
Reduced:	ClSN3O7H22C28 (1)
Stoich.:	ABC3D7E22F28 (1)
Weight, g/mol:	436.971244
ΔH_f, kcal/mol:	-92.03
Dipole, Da:	5.32
IP(EA), eV:	-8.96(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(E)-(2,6-dichlorophenyl)methylideneamino]oxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C2N(C1C3=CC(=CC=C3)OC)C(=O)/C(=C\C4=CC=C(O4)C5=C(C=C(C=C5)Cl)[N+](=O)[O-])/S2)C

DOS

IR

Vibrations