Geometry & MOs

Info

ID:

392081

PubChem CID:

135012666

Reduced:

SeO6H11C17 (1)

Stoich.:

AB6C11D17 (1)

Weight, g/mol:

771.212721

ΔHf, kcal/mol:

-142.16

Dipole, Da:

6.6

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.791382

Charge, e:

 -1

Chem-info

IUPAC name:

[2-[C-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R,2R)-1-carboxy-2-methyl-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butyl]carbonimidoyl]phenyl]-[2-(dibutylamino)acetyl]azanide;nickel

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2C3(C(=O)C4=CC=CC=C4C3=O)O[Se](=[OH+])O2

DOS

IR

Vibrations