Geometry & MOs

Info

ID:

125872

PubChem CID:

50941689

Reduced:

NSO4C12H15 (1)

Stoich.:

ABC4D12E15 (1)

Weight, g/mol:

1584.717684

ΔHf, kcal/mol:

-96.54

Dipole, Da:

5.81

IP(EA), eV:

-9.27(-0.43)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-8-[[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-8-[[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-8-[[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-8-[[(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carboxylate

Drug info:

PubChemData

Smile

CN(C(=O)C1(CC1)C2=CC=CC=C2)OS(=O)(=O)C

DOS

IR

Vibrations