Geometry & MOs

Info

ID:	279987
PubChem CID:	103846102
Reduced:	N2O3C14H28 (1)
Stoich.:	A2B3C14D28 (1)
Weight, g/mol:	317.083014
ΔH_f, kcal/mol:	-172.18
Dipole, Da:	3.0
IP(EA), eV:	-8.91(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CNCC1CCCN1C(=O)OC(C)(C)C)OC

DOS

IR

Vibrations