Geometry & MOs

Info

ID:

181071

PubChem CID:

76715583

Reduced:

FSN3O7C39H46 (1)

Stoich.:

ABC3D7E39F46 (1)

Weight, g/mol:

604.294865

ΔHf, kcal/mol:

-277.1

Dipole, Da:

3.2

IP(EA), eV:

 -9.46(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(1,3-benzoxazol-2-yloxy)-1-[3-(3-fluoro-5-methylphenyl)propanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-oct-1-enylcyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CC1)S(=O)(=O)NC(=O)C23CC2C=CCCCCCC(C(=O)N4CC(CC4C(=O)C3)OC(=O)N5CC6=C(C5)C(=CC=C6)F)CC7=CC=CC=C7

DOS

IR

Vibrations