Geometry & MOs

Info

ID:

215593

PubChem CID:

85084956

Reduced:

S5N7O8H47C53 (1)

Stoich.:

A5B7C8D47E53 (1)

Weight, g/mol:

1074.42395

ΔHf, kcal/mol:

-4.99

Dipole, Da:

6.5

IP(EA), eV:

 -8.71(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

europium;2-[[5,11,17,23-tetratert-butyl-26,27-bis(carboxymethoxy)-28-[2-oxo-2-(propylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=NN=C(S1)SCSC2=C(N3C(C(C3=O)NC(=O)C(=NOC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C7=CSC(=N7)NC(=O)OC(C)(C)C)S(=O)C2)C(=O)OC(C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations