Geometry & MOs

Info

ID:	380197
PubChem CID:	134970557
Reduced:	SO2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	268.051574
ΔH_f, kcal/mol:	-175.68
Dipole, Da:	2.89
IP(EA), eV:	-8.66(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

C[C@@H](C1SCCCS1)[C@H](C(C)C(CC(=O)OC)O)OCC2=CC=CC=C2

DOS

IR

Vibrations