Geometry & MOs

Info

ID:	132551
PubChem CID:	51377921
Reduced:	S2Cl3N3O5H17C20 (1)
Stoich.:	A2B3C3D5E17F20 (1)
Weight, g/mol:	407.107696
ΔH_f, kcal/mol:	-99.78
Dipole, Da:	9.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.872384
Charge, e:	-1

Chem-info

IUPAC name:

(5-ethoxycarbonyl-2-morpholin-4-ylphenyl)-(4-fluorophenyl)sulfonylazanide

Drug info:

PubChemData

Smile

CCOC(=C1C(=NS(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl)N=C(N1C3=CC=CC=C3OC)SC)[O-]

DOS

IR

Vibrations