Geometry & MOs

Info

ID:

377119

PubChem CID:

134223157

Reduced:

N2O12H40C47 (1)

Stoich.:

A2B12C40D47 (1)

Weight, g/mol:

1240.270466

ΔHf, kcal/mol:

-253.52

Dipole, Da:

1.73

IP(EA), eV:

 -8.83(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-O-[4-[4-[3,4-bis(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxy-2-(1,3-dioxoinden-2-yl)benzo[f][1,3]benzodithiol-9-yl] 1-O-[3,4-bis(prop-2-enoyloxymethoxy)phenyl] cyclohexane-1,4-dicarboxylate

Drug info:

PubChemData

Smile

C=CC(=O)OCC(COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)OCOC(=O)C=C)/C=N/N=C4C5C=CC=CC5C6C4C=CC=C6)OC(=O)C=C

DOS

IR

Vibrations