Geometry & MOs

Info

ID:	279015
PubChem CID:	103840489
Reduced:	NF2O4C15H19 (1)
Stoich.:	AB2C4D15E19 (1)
Weight, g/mol:	317.083014
ΔH_f, kcal/mol:	-287.56
Dipole, Da:	3.38
IP(EA), eV:	-10.03(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(5-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=CC=C(C=C1)C(F)F

DOS

IR

Vibrations