Geometry & MOs

Info

ID:

181147

PubChem CID:

76715659

Reduced:

FSN3O6C42H50 (1)

Stoich.:

ABC3D6E42F50 (1)

Weight, g/mol:

591.330836

ΔHf, kcal/mol:

-214.63

Dipole, Da:

4.36

IP(EA), eV:

 -8.72(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-(benzylcarbamoyl)pyrrolidine-1-carbonyl]-14-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)CC(CCCCCC=C)C(=O)N2CC(CC2C(=O)CC3(CC3C=C)C(=O)NS(=O)(=O)C4(CC4)C)OC5=NC=CC6=CC=CC=C65

DOS

IR

Vibrations