Geometry & MOs

Info

ID:

51284

PubChem CID:

12013929

Reduced:

NS8H14C16 (2)

Stoich.:

AB8C14D16 (2)

Weight, g/mol:

947.77224

ΔHf, kcal/mol:

233.07

Dipole, Da:

9.08

IP(EA), eV:

 -7.65(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6,19-bis(6,7-dihydro-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-2-ylidene)-3,5,7,9,16,18,20,22-octathiapentacyclo[22.2.2.211,14.04,8.017,21]triaconta-1(27),4(8),11,13,17(21),24(28),25,29-octaene

Drug info:

PubChemData

Smile

C1CSC2=C(SC1)SC(=C3SC(=C(S3)SCC4=CC=C(C=C4)CSC5=C(SC(=C6SC7=C(S6)SCCCS7)S5)SCCC#N)SCCC#N)S2

DOS

IR

Vibrations