Geometry & MOs

Info

ID:

181165

PubChem CID:

76715677

Reduced:

S2N3O6C37H43 (1)

Stoich.:

A2B3C6D37E43 (1)

Weight, g/mol:

526.247915

ΔHf, kcal/mol:

-151.46

Dipole, Da:

10.99

IP(EA), eV:

 -9.4(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC1)S(=O)(=O)NC(=O)C23CC2C=CCCCCCC(C(=O)N4CC(CC4C(=O)C3)OC5=NC6=CC=CC=C6S5)CC7=CC=CC=C7

DOS

IR

Vibrations