Geometry & MOs

Info

ID:

404152

PubChem CID:

135065232

Reduced:

NiN8O8S8H64C88 (1)

Stoich.:

AB8C8D8E64F88 (1)

Weight, g/mol:

1824.23793

ΔHf, kcal/mol:

654.77

Dipole, Da:

17.55

IP(EA), eV:

 -7.66(-3.77)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)SC2=C3C(=C(C=C2)SC4=CC=C(C=C4)OC)C5=NC6=NC(=NC7=C8C(=CC=C(C8=C([N-]7)N=C9C1=C(C=CC(=C1C(=N9)N=C3[N-]5)SC1=CC=C(C=C1)OC)SC1=CC=C(C=C1)OC)SC1=CC=C(C=C1)OC)SC1=CC=C(C=C1)OC)C1=C(C=CC(=C16)SC1=CC=C(C=C1)OC)SC1=CC=C(C=C1)OC.[Ni+2]

DOS

IR

Vibrations