Geometry & MOs

Info

ID:	234479
PubChem CID:	92298523
Reduced:	S2Cl3N3O3C20H22 (1)
Stoich.:	A2B3C3D3E20F22 (1)
Weight, g/mol:	395.036519
ΔH_f, kcal/mol:	-106.43
Dipole, Da:	3.47
IP(EA), eV:	-9.12(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[(5-nitrofuran-2-yl)methylidene]-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CCCC(=O)N[C@@H](C(Cl)(Cl)Cl)NC(=S)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC

DOS

IR

Vibrations