Geometry & MOs

Info

ID:

377120

PubChem CID:

134223158

Reduced:

SO11H28C32 (2)

Stoich.:

AB11C28D32 (2)

Weight, g/mol:

986.347334

ΔHf, kcal/mol:

-699.22

Dipole, Da:

4.66

IP(EA), eV:

 -8.49(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[(E)-(4a,4b,8a,9a-tetrahydrofluoren-9-ylidenehydrazinylidene)methyl]-4-[3,4-bis[(3-methyloxetan-3-yl)methoxymethoxy]benzoyl]oxyphenyl] 3,4-bis(prop-2-enoyloxymethoxy)benzoate

Drug info:

PubChemData

Smile

C=CC(=O)OCOC1=C(C=C(C=C1)OC(=O)C2CCC(CC2)C(=O)OC3=C4C(=C(C5=CC=CC=C53)OC(=O)C6CCC(CC6)C(=O)OC7=CC(=C(C=C7)OCOC(=O)C=C)OCOC(=O)C=C)SC(S4)C8C(=O)C9=CC=CC=C9C8=O)OCOC(=O)C=C

DOS

IR

Vibrations