Geometry & MOs

Info

ID:

233652

PubChem CID:

91147939

Reduced:

N3O3C32H39 (1)

Stoich.:

A3B3C32D39 (1)

Weight, g/mol:

681.263248

ΔHf, kcal/mol:

-18.16

Dipole, Da:

4.33

IP(EA), eV:

 -8.35(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,4R,6S,14S,18R)-14-amino-4-[(2-methylphenyl)sulfonylcarbamoyl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2=CC=CC=C2C(=CC=O)C3=C(C=CC(=C3)C4=CC=CC=C4OC)OCCN(C)C

DOS

IR

Vibrations