Geometry & MOs

Info

ID:

181421

PubChem CID:

76745645

Reduced:

RuS2O5N8H26C38 (1)

Stoich.:

AB2C5D8E26F38 (1)

Weight, g/mol:

374.174276

ΔHf, kcal/mol:

258.31

Dipole, Da:

6.12

IP(EA), eV:

 -7.22(-3.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(2-isocyanoprop-1-enyl)phenyl]-[4-[4-(nitrosomethyl)phenyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NC3=C4C=CC=NC4=C5C(=C3N2)C=CC=N5.C1=CN=C(C=C1C=COC=O)C2=NC=CC(=C2)C=COC=O.C(#N)[S-].C(#N)[S-].[Ru+2]

DOS

IR

Vibrations