Geometry & MOs

Info

ID:

51727

PubChem CID:

12014455

Reduced:

NSO4C36H55 (1)

Stoich.:

ABC4D36E55 (1)

Weight, g/mol:

1128.195056

ΔHf, kcal/mol:

-217.23

Dipole, Da:

4.25

IP(EA), eV:

 -9.36(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6E)-6-[[[(1R,2R)-2-[[(E)-(3,5-dinitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]-2,4-dinitrocyclohexa-2,4-dien-1-one;ruthenium;triphenylphosphane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2C=C3C[C@H](CC[C@@]3([C@@H]4[C@@H]2[C@@H]5CC[C@@H]([C@]5(CC4)C)C(C)CCCC(C)C)C)OC(=O)C

DOS

IR

Vibrations