Geometry & MOs

Info

ID:	279025
PubChem CID:	103840587
Reduced:	BrFNOC10H11 (1)
Stoich.:	ABCDE10F11 (1)
Weight, g/mol:	297.137636
ΔH_f, kcal/mol:	-68.69
Dipole, Da:	1.68
IP(EA), eV:	-9.36(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(2-fluoro-5-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Drug info:

PubChemData

Smile

C1CNCC1(C2=C(C(=CC=C2)Br)F)O

DOS

IR

Vibrations