Geometry & MOs

Info

ID:	33739
PubChem CID:	7887905
Reduced:	BrFO4H14C17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	366.1591
ΔH_f, kcal/mol:	-158.63
Dipole, Da:	6.34
IP(EA), eV:	-9.79(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C1=CC=C(C=C1)Br)OC(=O)C2=C(C=C(C=C2)OC)F

DOS

IR

Vibrations