Geometry & MOs

Info

ID:

170458

PubChem CID:

75236521

Reduced:

RuCl2F2O3N8C43H45 (1)

Stoich.:

AB2C2D3E8F43G45 (1)

Weight, g/mol:

432.235933

ΔHf, kcal/mol:

85.79

Dipole, Da:

11.44

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.253566

Charge, e:

 0

Chem-info

IUPAC name:

8,9,14,16-tetrahydroxy-10-(1-hydroxyethyl)-5,7,9,13,15-pentamethyl-1,11-dioxaspiro[2.13]hexadecane-6,12-dione

Drug info:

PubChemData

Smile

CC1CN(CC(N1)C)C2=C(C(=C3C(=C2F)N(C=C(C3=O)C(=O)[O-])C4CC4)N)F.CC1=CC(=NC=C1)C2=NC=CC(=C2)C.CC1=CC(=NC=C1)C2=NC=CC(=C2)C.[Cl-].[Cl-].[Ru+3]

DOS

IR

Vibrations