Geometry & MOs

Info

ID:	60841
PubChem CID:	26702588
Reduced:	FNBr2O3H12C20 (1)
Stoich.:	ABC2D3E12F20 (1)
Weight, g/mol:	413.00628
ΔH_f, kcal/mol:	-83.5
Dipole, Da:	2.95
IP(EA), eV:	-8.69(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzamidophenyl) 2-bromo-5-fluorobenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)OC(=O)C3=C(C=CC(=C3)F)Br)Br

DOS

IR

Vibrations