Geometry & MOs

Info

ID:	446919
PubChem CID:	135278802
Reduced:	N2S2O3C13H20 (1)
Stoich.:	A2B2C3D13E20 (1)
Weight, g/mol:	399.140533
ΔH_f, kcal/mol:	-93.63
Dipole, Da:	1.59
IP(EA), eV:	-8.85(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-ethylsulfanyl-2-(1H-indol-5-yloxy)phenyl]-6-methyl-1H-pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

C[C@H](CNSS)OC1=NC=C(C=C1)OCC(=O)C(C)C

DOS

IR

Vibrations