Geometry & MOs

Info

ID:

181095

PubChem CID:

76715607

Reduced:

F2S2N3O6C36H39 (1)

Stoich.:

A2B2C3D6E36F39 (1)

Weight, g/mol:

776.361899

ΔHf, kcal/mol:

-241.76

Dipole, Da:

1.32

IP(EA), eV:

 -9.15(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[14-(3-tert-butylanilino)-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

C1CCC=CC2CC2(CC(=O)C3CC(CN3C(=O)C(CC1)CC4=CC(=CC=C4)F)OC5=NC6=C(S5)C=C(C=C6)F)C(=O)NS(=O)(=O)C7CC7

DOS

IR

Vibrations