Geometry & MOs

Info

ID:	60028
PubChem CID:	26665193
Reduced:	FOCl2N2H7C14 (1)
Stoich.:	ABC2D2E7F14 (1)
Weight, g/mol:	446.96731
ΔH_f, kcal/mol:	-24.51
Dipole, Da:	7.51
IP(EA), eV:	-9.59(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-bromobenzoyl)amino]phenyl] 2-chloro-4-fluorobenzoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=O)C2=C(C=C(C=C2)F)Cl)Cl)C#N

DOS

IR

Vibrations