Geometry & MOs

Info

ID:	279012
PubChem CID:	103840471
Reduced:	BrFNO4C14H17 (1)
Stoich.:	ABCD4E14F17 (1)
Weight, g/mol:	317.083014
ΔH_f, kcal/mol:	-226.74
Dipole, Da:	6.52
IP(EA), eV:	-10.04(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(4-chloro-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations