Geometry & MOs

Info

ID:

408149

PubChem CID:

135080909

Reduced:

SCl5H9C12 (1)

Stoich.:

AB5C9D12 (1)

Weight, g/mol:

1590.550297

ΔHf, kcal/mol:

20.62

Dipole, Da:

2.4

IP(EA), eV:

-9.09(-0.92)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

38-chloro-3,6,12,15,21,24,30,33-octakis(hexylsulfanyl)-9,18,27,36,37,39,40,41-octaza-38-indadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCS/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/Cl

DOS

IR

Vibrations