Geometry & MOs

Info

ID:	160968
PubChem CID:	57390387
Reduced:	N5O5C23H35 (1)
Stoich.:	A5B5C23D35 (1)
Weight, g/mol:	312.036478
ΔH_f, kcal/mol:	-232.29
Dipole, Da:	8.14
IP(EA), eV:	-9.14(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-fluorophenoxy)-3-(3-fluorophenyl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)N1C[C@H](NC1=O)CNC(=O)NC2=CC=CC=C2

DOS

IR

Vibrations