Geometry & MOs

Info

ID:

181083

PubChem CID:

76715595

Reduced:

ClSN2O5C34H37 (1)

Stoich.:

ABC2D5E34F37 (1)

Weight, g/mol:

749.314615

ΔHf, kcal/mol:

-135.17

Dipole, Da:

6.09

IP(EA), eV:

 -9.22(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[14-[(3-methoxyphenyl)methyl]-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C12CC1C=CCCCCCC(C(=O)N3CC(CC3C(=O)C2)OC4=NC5=CC=CC=C5S4)CC6=CC(=CC=C6)Cl

DOS

IR

Vibrations