Geometry & MOs

Info

ID:

181105

PubChem CID:

76715617

Reduced:

ClSN2O5C33H35 (1)

Stoich.:

ABC2D5E33F35 (1)

Weight, g/mol:

633.321414

ΔHf, kcal/mol:

-135.0

Dipole, Da:

6.57

IP(EA), eV:

 -9.32(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-(2-anilinoacetyl)-5-[2-(1-methoxycarbonyl-2-oct-1-enylcyclopropyl)acetyl]pyrrolidin-3-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate

Drug info:

PubChemData

Smile

C1CCC=CC2CC2(CC(=O)C3CC(CN3C(=O)C(CC1)CC4=CC=C(C=C4)Cl)OC5=NC6=CC=CC=C6S5)C(=O)O

DOS

IR

Vibrations