Geometry & MOs

Info

ID:	427169
PubChem CID:	135155854
Reduced:	FO2N4H27C32 (1)
Stoich.:	AB2C4D27E32 (1)
Weight, g/mol:	504.161997
ΔH_f, kcal/mol:	-2.95
Dipole, Da:	3.78
IP(EA), eV:	-9.44(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-4-pyridin-3-ylquinoline

Drug info:

PubChemData

Smile

C1CN(CC2=C1C=C(C=C2)F)C(=O)C3=CC=CC(=C3)CN4C(=O)C(N=C4N)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations