Geometry & MOs

Info

ID:	173261
PubChem CID:	75611648
Reduced:	BrCl2N3O3H14C20 (1)
Stoich.:	AB2C3D3E14F20 (1)
Weight, g/mol:	386.119047
ΔH_f, kcal/mol:	-47.34
Dipole, Da:	2.2
IP(EA), eV:	-8.85(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[amino-(4-fluorophenyl)methylidene]amino] 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NCC(=O)NN=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl)Br

DOS

IR

Vibrations