Geometry & MOs

Info

ID:

181109

PubChem CID:

76715621

Reduced:

F2S2N3O6C37H41 (1)

Stoich.:

A2B2C3D6E37F41 (1)

Weight, g/mol:

737.294628

ΔHf, kcal/mol:

-243.93

Dipole, Da:

11.05

IP(EA), eV:

 -9.58(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[14-[(4-fluorophenyl)methyl]-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

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

DOS

IR

Vibrations