Geometry & MOs

Info

ID:	328249
PubChem CID:	126700373
Reduced:	NF3O4C25H28 (1)
Stoich.:	AB3C4D25E28 (1)
Weight, g/mol:	450.123401
ΔH_f, kcal/mol:	-324.3
Dipole, Da:	3.36
IP(EA), eV:	-9.74(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-[4-[(E)-3-(5-chloro-2-hydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]ethyl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(CC1=CC(=CC=C1)[C@@H]2CCCN(C2)C(=O)OCC3=CC=C(C=C3)C(F)(F)F)C(=O)O

DOS

IR

Vibrations