Geometry & MOs

Info

ID:

181070

PubChem CID:

76715582

Reduced:

SN2O6C34H38 (1)

Stoich.:

AB2C6D34E38 (1)

Weight, g/mol:

719.30405

ΔHf, kcal/mol:

-162.79

Dipole, Da:

7.61

IP(EA), eV:

 -8.94(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[14-benzyl-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

COC1=CC=CC(=C1)CC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC5=NC6=CC=CC=C6S5)C(=O)O

DOS

IR

Vibrations