Geometry & MOs

Info

ID:

181158

PubChem CID:

76715670

Reduced:

SN3O6C39H45 (1)

Stoich.:

AB3C6D39E45 (1)

Weight, g/mol:

737.294628

ΔHf, kcal/mol:

-161.95

Dipole, Da:

5.09

IP(EA), eV:

 -9.09(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(cyclopropylsulfonylcarbamoyl)-14-[(3-fluoro-5-methylphenyl)methyl]-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=C6C=C5)CC7=CC=CC=C7

DOS

IR

Vibrations