Geometry & MOs

Info

ID:

177170

PubChem CID:

76143229

Reduced:

SO4C24H40 (1)

Stoich.:

AB4C24D40 (1)

Weight, g/mol:

788.320348

ΔHf, kcal/mol:

-206.48

Dipole, Da:

3.1

IP(EA), eV:

 -9.1(0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 5-[1-(2-azabicyclo[2.2.2]octan-2-yl)-2-methyl-1-oxopropan-2-yl]-2-(3,5-dimethylphenyl)-3-[1-[(2,4-dinitrophenyl)sulfonylamino]propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-7-carboxylate

Drug info:

PubChemData

Smile

CCCCC1(CCC1)C(C=CC2C(CC(C2CC=CCCCC(=O)OC)S)O)O

DOS

IR

Vibrations