Geometry & MOs

Info

ID:

181192

PubChem CID:

76715705

Reduced:

NO3C21H22 (2)

Stoich.:

AB3C21D22 (2)

Weight, g/mol:

734.314949

ΔHf, kcal/mol:

-144.82

Dipole, Da:

3.67

IP(EA), eV:

 -8.98(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[14-(4-methylanilino)-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

COC1=CC2=C(C=C1)C(=CC(=N2)C3=CC=CC=C3)OC4CC5C(=O)CC6(CC6C=CCCCCCC(C(=O)N5C4)CC7=CC=CC=C7)C(=O)O

DOS

IR

Vibrations