Geometry & MOs

Info

ID:

404158

PubChem CID:

135065239

Reduced:

MgN8O8C72H96 (1)

Stoich.:

AB8C8D72E96 (1)

Weight, g/mol:

1678.141871

ΔHf, kcal/mol:

63.9

Dipole, Da:

5.27

IP(EA), eV:

 -7.5(-2.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,5,13,14,22,23,31,32-octakis(benzylsulfanyl)-38,38-dichloro-9,18,27,36,37,39,40,41-octaza-38-stannadecacyclo[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

CCCCCOC1=CC2=C3[N-]C(=C2C=C1OCCCCC)N=C4C5=CC(=C(C=C5C(=N4)N=C6C7=CC(=C(C=C7C(=NC8=NC(=N3)C9=CC(=C(C=C98)OCCCCC)OCCCCC)[N-]6)OCCCCC)OCCCCC)OCCCCC)OCCCCC.[Mg+2]

DOS

IR

Vibrations