Geometry & MOs

Info

ID:	168631
PubChem CID:	74997659
Reduced:	FCl2O5C19H23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	499.290982
ΔH_f, kcal/mol:	-281.3
Dipole, Da:	2.37
IP(EA), eV:	-9.33(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;6-[2-[cyclohexyl-(2,2-dimethylbutanoylamino)methyl]-4,6-dimethylphenoxy]-3,5-dihydroxyhexanoate

Drug info:

PubChemData

Smile

C1CCC(=C(C2=C(C(=CC(=C2)Cl)Cl)OCC(CC(CC(=O)O)O)O)F)CC1

DOS

IR

Vibrations