Geometry & MOs

Info

ID:	53589
PubChem CID:	14716815
Reduced:	FON2C20H23 (1)
Stoich.:	ABC2D20E23 (1)
Weight, g/mol:	547.270066
ΔH_f, kcal/mol:	-43.51
Dipole, Da:	2.4
IP(EA), eV:	-8.7(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-3-chloro-4-hydroxy-2-methylphenoxy]propanoic acid

Drug info:

PubChemData

Smile

CN1CCC(CC1)C(=O)C2=C(C=CC=N2)CCC3=CC(=CC=C3)F

DOS

IR

Vibrations