Geometry & MOs

Info

ID:

214958

PubChem CID:

85083923

Reduced:

SN3O7H35C36 (1)

Stoich.:

AB3C7D35E36 (1)

Weight, g/mol:

652.16687

ΔHf, kcal/mol:

-139.22

Dipole, Da:

2.46

IP(EA), eV:

 -9.08(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 3

Chem-info

IUPAC name:

[9-[3-[[2-oxo-2-(2-sulfanylethylamino)ethyl]-(2-sulfanylethyl)amino]propyl]-9-azabicyclo[3.3.1]nonan-3-yl] N-(2-methoxy-5-methylphenyl)carbamate;oxygen(2-);technetium(5+)

Drug info:

PubChemData

Smile

CC(=NOCC(=O)O)C1=CC=C(C=C1)C2=CC(=CC=C2)OCC(=O)N3CCN(CC3)C4C5=CC=CC=C5CS(=O)(=O)C6=CC=CC=C46

DOS

IR

Vibrations