Geometry & MOs

Info

ID:

45267

PubChem CID:

10510382

Reduced:

NSiO13C63H93 (1)

Stoich.:

ABC13D63E93 (1)

Weight, g/mol:

1103.810476

ΔHf, kcal/mol:

-640.29

Dipole, Da:

1.73

IP(EA), eV:

 -9.01(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,6-bis[2-[2-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-methylsulfanyl-1,3-dithiol-4-yl]sulfanyl]ethoxy]ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@H](O2)[C@H](C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@@H]4C[C@]5([C@H](CC(=O)CO5)/C=C(/C1)\C)OC(O4)(C)C)C)/C(=C/[C@@H]6CC[C@H]([C@@H](C6)OC)O[Si](C7=CC=CC=C7)(C8=CC=CC=C8)C(C)(C)C)/C)O)C)OC)OC

DOS

IR

Vibrations