Geometry & MOs

Info

ID:

328896

PubChem CID:

126728903

Reduced:

OH14C18 (2)

Stoich.:

AB14C18 (2)

Weight, g/mol:

1669.627379

ΔHf, kcal/mol:

37.97

Dipole, Da:

1.87

IP(EA), eV:

-8.49(-0.65)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=CC4=C(C=C3)C5=CC=CC=C5C4(C)C)OC6=C1C=CC7=C6OC8=CC=CC=C78)C

DOS

IR

Vibrations