Geometry & MOs

Info

ID:

341792

PubChem CID:

127264485

Reduced:

F2O9N14C40H48 (1)

Stoich.:

A2B9C14D40E48 (1)

Weight, g/mol:

465.01466

ΔHf, kcal/mol:

-298.38

Dipole, Da:

5.94

IP(EA), eV:

 -9.58(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-bromo-3-(1H-indol-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN1C=C(N=N1)CN(CC(CCC(=O)N)(F)F)C(=O)C2=CC(=CC(=C2)C(=O)NCC3=CN(N=N3)CC4=CC=C(C=C4)OCC(=O)N)C(=O)NCC5=CN(N=N5)CCO

DOS

IR

Vibrations