Geometry & MOs

Info

ID:

79901

PubChem CID:

49831151

Reduced:

RuCl2N2O6H26C32 (1)

Stoich.:

AB2C2D6E26F32 (1)

Weight, g/mol:

466.224341

ΔHf, kcal/mol:

-1.76

Dipole, Da:

4.75

IP(EA), eV:

 -8.54(-3.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S,3R)-4-[[1-[3-(1,1-difluoro-2-methylpropan-2-yl)phenyl]cyclopropyl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide

Drug info:

PubChemData

Smile

COC1(C(=N)C(=O)C2=CC=CC=C2O1)C3=CC=CC=C3.COC1(C(=N)C(=O)C2=CC=CC=C2O1)C3=CC=CC=C3.[Cl-].[Cl-].[Ru+2]

DOS

IR

Vibrations