Geometry & MOs

Info

ID:

377117

PubChem CID:

134223155

Reduced:

SN3O17H51C54 (1)

Stoich.:

AB3C17D51E54 (1)

Weight, g/mol:

1138.275157

ΔHf, kcal/mol:

-509.15

Dipole, Da:

3.52

IP(EA), eV:

 -8.62(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-O-[2-(1,3-dioxoinden-2-yl)-4-[4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexanecarbonyl]oxybenzo[f][1,3]benzodithiol-9-yl] 1-O-[4-[2,3-di(prop-2-enoyloxy)propoxy]phenyl] cyclohexane-1,4-dicarboxylate

Drug info:

PubChemData

Smile

C=CC(=O)OCOC1=CC=C(C=C1)OC(=O)C2CCC(CC2)C(=O)OC3=C(C=C(C=C3)OC(=O)C4CCC(CC4)C(=O)OC5=CC(=C(C=C5)OCOC(=O)C=C)OCOC(=O)C=C)/C=N/NC6=NC7=CC=CC=C7S6

DOS

IR

Vibrations