Geometry & MOs

Info

ID:

127843

PubChem CID:

51019344

Reduced:

O2N3C24H35 (1)

Stoich.:

A2B3C24D35 (1)

Weight, g/mol:

847.828097

ΔHf, kcal/mol:

-78.25

Dipole, Da:

4.84

IP(EA), eV:

 -9.09(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,15S)-3,8,13-tris[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-7,9-dithiapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-4,6(10),11,16-tetraene

Drug info:

PubChemData

Smile

CC1CC2C(CCC(=O)N2C)(C3C1C4C[C@@H](CC4(CC3)C)OC5=NC=CN=C5)C

DOS

IR

Vibrations