Geometry & MOs

Info

ID:

315872

PubChem CID:

126629214

Reduced:

F3O5N6C34H45 (1)

Stoich.:

A3B5C6D34E45 (1)

Weight, g/mol:

690.533559

ΔHf, kcal/mol:

-323.99

Dipole, Da:

7.47

IP(EA), eV:

 -9.39(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[8-[6-[8-(2,5-dioxopyrrol-1-yl)octyl]-4-hexyl-5-[(E)-oct-2-enyl]cyclohex-2-en-1-yl]octyl]pyrrole-2,5-dione

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2CCC[C@H](N2)C(=O)O[C@@H](C3=NC4=C(C=CC(=C4)/C=C/C5(CCN(CC5)CC(F)(F)F)C(=O)N[C@H](C(N1)O)C(C)C)C=C3)C

DOS

IR

Vibrations