Geometry & MOs

Info

ID:

312904

PubChem CID:

126609644

Reduced:

O9H46C54 (1)

Stoich.:

A9B46C54 (1)

Weight, g/mol:

1484.538167

ΔHf, kcal/mol:

-149.57

Dipole, Da:

1.74

IP(EA), eV:

 -8.93(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-[6-[3-[6-[4-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-4-oxobutanoyl]oxyhexanoyloxy]-2,2-bis[6-[4-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-4-oxobutanoyl]oxyhexanoyloxymethyl]propoxy]-6-oxohexyl] 4-O-[2-(2,5-dioxopyrrol-1-yl)ethyl] butanedioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC(=CC(=C2)COC3=CC(=CC(=C3)C(=O)OCC4=CC=CO4)OCC5=CC(=CC(=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8

DOS

IR

Vibrations