Geometry & MOs

Info

ID:

181243

PubChem CID:

76720721

Reduced:

PN6O11C29H51 (1)

Stoich.:

AB6C11D29E51 (1)

Weight, g/mol:

758.159759

ΔHf, kcal/mol:

-559.18

Dipole, Da:

12.64

IP(EA), eV:

 -8.89(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

chloro-(3-phenylinden-1-ylidene)ruthenium;6-[(3-nitroanilino)methylidene]cyclohexa-2,4-dien-1-one;1-(2,4,6-trimethylphenyl)imidazolidin-2-ide

Drug info:

PubChemData

Smile

CC1C(OC(C1OP(=O)(C)OCC2C(C(C(O2)C3CN(C(=O)NC3=O)CCCN)C)OC)C4CN(C(=O)NC4=O)CCCN)COC

DOS

IR

Vibrations