Geometry & MOs

Info

ID:	45893
PubChem CID:	10518777
Reduced:	BrO5C11H15 (1)
Stoich.:	AB5C11D15 (1)
Weight, g/mol:	307.083156
ΔH_f, kcal/mol:	-184.42
Dipole, Da:	2.77
IP(EA), eV:	-10.15(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-fluoro-4-[(2,2,2-trifluoroacetyl)amino]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C(/CCOC(=C)C(=O)OC)\Br

DOS

IR

Vibrations