Geometry & MOs

Info

ID:

143765

PubChem CID:

53257153

Reduced:

OSCl2N4C17H18 (1)

Stoich.:

ABC2D4E17F18 (1)

Weight, g/mol:

444.353811

ΔHf, kcal/mol:

22.82

Dipole, Da:

3.87

IP(EA), eV:

 -8.5(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2-dideuterio-N-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]-2-[4-[2,3,3-trideuterio-2-hydroxy-3-[2-(trideuteriomethoxy)phenoxy]propyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=N1)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations