Geometry & MOs

Info

ID:	60842
PubChem CID:	26702592
Reduced:	BrFNO3H13C20 (1)
Stoich.:	ABCD3E13F20 (1)
Weight, g/mol:	409.98013
ΔH_f, kcal/mol:	-82.84
Dipole, Da:	2.06
IP(EA), eV:	-8.74(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-(2-bromo-5-fluorobenzoyl)oxybenzene-1,3-dicarboxylate

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

DOS

IR

Vibrations