Geometry & MOs

Info

ID:

222912

PubChem CID:

85333124

Reduced:

SN3F5O5C28H36 (1)

Stoich.:

AB3C5D5E28F36 (1)

Weight, g/mol:

622.256668

ΔHf, kcal/mol:

-455.79

Dipole, Da:

3.14

IP(EA), eV:

 -9.36(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[5-[4-[5-[4-[2-(2-carboxyethoxy)ethyl]phenoxy]pent-3-en-1-ynyl]phenyl]pent-2-en-4-ynoxy]phenyl]-2-ethoxypropanoic acid

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)CC(C(=O)NC(CC1=CC(=CC(=C1)F)F)C(CNCC2=CC=CC(=C2)CC)O)NC(=O)C(F)(F)F

DOS

IR

Vibrations