Geometry & MOs

Info

ID:

181170

PubChem CID:

76715682

Reduced:

FSN2O5C34H37 (1)

Stoich.:

ABC2D5E34F37 (1)

Weight, g/mol:

487.273401

ΔHf, kcal/mol:

-189.98

Dipole, Da:

2.69

IP(EA), eV:

 -8.99(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[1-[3-(3-fluoro-5-methylphenyl)propanoyl]-4-hydroxypyrrolidin-2-yl]-2-oxoethyl]-2-oct-1-enylcyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)OC3CC4C(=O)CC5(CC5C=CCCCCCC(C(=O)N4C3)CC6=CC(=CC=C6)F)C(=O)O

DOS

IR

Vibrations