Geometry & MOs

Info

ID:

66677

PubChem CID:

46505051

Reduced:

BrSN3O5C24H24 (1)

Stoich.:

ABC3D5E24F24 (1)

Weight, g/mol:

619.07765

ΔHf, kcal/mol:

-131.82

Dipole, Da:

12.05

IP(EA), eV:

 -9.18(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]sulfonyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC3=CC(=C(C=C32)S(=O)(=O)N4CC(=O)N(C(=O)C4)CCC5=CC=CC=C5)Br

DOS

IR

Vibrations