Geometry & MOs

Info

ID:	378131
PubChem CID:	134224205
Reduced:	ClF3N3O3H13C21 (1)
Stoich.:	AB3C3D3E13F21 (1)
Weight, g/mol:	445.064777
ΔH_f, kcal/mol:	-166.52
Dipole, Da:	7.86
IP(EA), eV:	-9.05(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-[1-(2,6-dichlorophenoxy)ethenyl]anilino]-3-fluorobenzoate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)C(=O)C(=N)C2=C(N=CC=C2)NC3=CC=C(C=C3)C(=O)O)C(F)(F)F

DOS

IR

Vibrations