Geometry & MOs

Info

ID:	182926
PubChem CID:	76957195
Reduced:	ClN2O8C28H29 (1)
Stoich.:	AB2C8D28E29 (1)
Weight, g/mol:	584.100473
ΔH_f, kcal/mol:	-294.63
Dipole, Da:	8.44
IP(EA), eV:	-8.79(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[4-(4-chlorophenoxy)phenoxy]propanoic acid;(2S)-2-[4-(4-chlorophenoxy)phenoxy]propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C([C@@H]1C2=CC=CC=C2Cl)C(=O)OC)C)COCCNC(=O)C3=CC=CC=C3C(=O)O

DOS

IR

Vibrations