Geometry & MOs

Info

ID:

408087

PubChem CID:

135080842

Reduced:

BrSH4Cl5C10 (1)

Stoich.:

ABC4D5E10 (1)

Weight, g/mol:

1651.366184

ΔHf, kcal/mol:

31.65

Dipole, Da:

1.23

IP(EA), eV:

-9.25(-1.14)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

cobalt(2+);5-N,5-N,7-N,7-N,14-N,14-N,16-N,16-N,23-N,23-N,25-N,25-N,32-N,32-N,34-N,34-N-hexadecaethyl-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene-5,7,14,16,23,25,32,34-octasulfonamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1S/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/Cl)Br

DOS

IR

Vibrations