Geometry & MOs

Info

ID:

181160

PubChem CID:

76715672

Reduced:

SN2O5C27H32 (1)

Stoich.:

AB2C5D27E32 (1)

Weight, g/mol:

738.289877

ΔHf, kcal/mol:

-147.78

Dipole, Da:

7.88

IP(EA), eV:

 -9.33(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[14-(2-fluoroanilino)-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

CC1CCCCCC=CC2CC2(CC(=O)C3CC(CN3C1=O)OC4=NC5=CC=CC=C5S4)C(=O)O

DOS

IR

Vibrations