Geometry & MOs

Info

ID:	160708
PubChem CID:	57389499
Reduced:	BrFOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	226.095357
ΔH_f, kcal/mol:	-79.11
Dipole, Da:	1.34
IP(EA), eV:	-9.01(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R)-7-oxo-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1F)OC)Br

DOS

IR

Vibrations