Geometry & MOs

Info

ID:

439419

PubChem CID:

135229193

Reduced:

N5O5H39C43 (1)

Stoich.:

A5B5C39D43 (1)

Weight, g/mol:

712.282489

ΔHf, kcal/mol:

-51.87

Dipole, Da:

4.91

IP(EA), eV:

 -8.45(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[3-[[2-(2-methylprop-2-enoyloxy)-5-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-(4-phenylphenyl)methyl]cyclopenta-1,4-dien-1-yl]phenyl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1CCC3=CC(=CC(=C3)N)COC4=C(C=C5C(=C4)NC[C@@H]6CC7=CC=CC=C7N6C5=O)OC)N=C[C@@H]8CC9=CC=CC=C9N8C2=O

DOS

IR

Vibrations