Geometry & MOs

Info

ID:

377118

PubChem CID:

134223156

Reduced:

S2O18H54C61 (1)

Stoich.:

A2B18C54D61 (1)

Weight, g/mol:

824.258125

ΔHf, kcal/mol:

-572.93

Dipole, Da:

6.49

IP(EA), eV:

 -8.28(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(E)-(4a,4b,8a,9a-tetrahydrofluoren-9-ylidenehydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-[2,3-di(prop-2-enoyloxy)propoxy]benzoate

Drug info:

PubChemData

Smile

C=CC(=O)OCC(COC1=CC=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)SC(S4)C8C(=O)C9=CC=CC=C9C8=O)OC(=O)C=C

DOS

IR

Vibrations