Geometry & MOs

Info

ID:

143624

PubChem CID:

53236698

Reduced:

BrSN2O3C24H29 (1)

Stoich.:

ABC2D3E24F29 (1)

Weight, g/mol:

552.217284

ΔHf, kcal/mol:

-89.17

Dipole, Da:

7.78

IP(EA), eV:

 -9.36(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-6-[(3R)-1-benzylpyrrolidin-3-yl]-14-fluoro-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CC=CC=C2)C(=O)C3CCC(CC3)NS(=O)(=O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations