Geometry & MOs

Info

ID:

181175

PubChem CID:

76715688

Reduced:

FSN4O6C42H53 (1)

Stoich.:

ABC4D6E42F53 (1)

Weight, g/mol:

645.2884

ΔHf, kcal/mol:

-224.92

Dipole, Da:

6.87

IP(EA), eV:

 -8.84(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[14-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadecan-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)CC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC5=NC6=CC=CC=C6N5CC(C)C)C(=O)NS(=O)(=O)C7(CC7)C

DOS

IR

Vibrations