Geometry & MOs

Info

ID:

328899

PubChem CID:

126728966

Reduced:

N3O12H31C34 (1)

Stoich.:

A3B12C31D34 (1)

Weight, g/mol:

1919.68099

ΔHf, kcal/mol:

-383.3

Dipole, Da:

8.73

IP(EA), eV:

 -9.58(-1.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 6-[[[4-[2-[9,9-bis(2-ethoxy-2-oxoethyl)-7-[(2,2,2-trifluoroacetyl)amino]fluoren-2-yl]ethynyl]-6-[[[6-ethoxycarbonyl-4-[2-[2,4,6-tris(2-ethoxy-2-oxoethoxy)phenyl]ethynyl]pyridin-2-yl]methyl-(2-ethoxy-2-oxoethyl)amino]methyl]pyridin-2-yl]methyl-(2-ethoxy-2-oxoethyl)amino]methyl]-4-[2-[2,4,6-tris(2-ethoxy-2-oxoethoxy)phenyl]ethynyl]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C2(CC(=O)O)CC(=O)O)C=C(C=C3)C#CC4=CC(=NC(=C4)CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O

DOS

IR

Vibrations