Geometry & MOs

Info

ID:

181024

PubChem CID:

76715535

Reduced:

SN2F3O5C34H35 (1)

Stoich.:

AB2C3D5E34F35 (1)

Weight, g/mol:

733.3197

ΔHf, kcal/mol:

-286.1

Dipole, Da:

7.21

IP(EA), eV:

 -9.23(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-14-[(3-methylphenyl)methyl]-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

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

DOS

IR

Vibrations