Geometry & MOs

Info

ID:

181167

PubChem CID:

76715679

Reduced:

FSN4O7C31H39 (1)

Stoich.:

ABC4D7E31F39 (1)

Weight, g/mol:

603.274464

ΔHf, kcal/mol:

-278.59

Dipole, Da:

6.76

IP(EA), eV:

 -9.65(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-anilino-18-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC=CC2CC2(CC(=O)C3CC(CN3C(=O)C(CC1)N)OC(=O)N4CC5=C(C4)C(=CC=C5)F)C(=O)NS(=O)(=O)C6CC6

DOS

IR

Vibrations