Geometry & MOs

Info

ID:

181201

PubChem CID:

76715714

Reduced:

N2O5C35H38 (1)

Stoich.:

A2B5C35D38 (1)

Weight, g/mol:

750.309864

ΔHf, kcal/mol:

-118.86

Dipole, Da:

4.35

IP(EA), eV:

 -9.22(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[14-(4-methoxyanilino)-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)OC5=CC=NC6=CC=CC=C65)C(=O)O

DOS

IR

Vibrations