Geometry & MOs

Info

ID:	446900
PubChem CID:	135278579
Reduced:	SF2N2O4C21H22 (1)
Stoich.:	AB2C2D4E21F22 (1)
Weight, g/mol:	472.126835
ΔH_f, kcal/mol:	-158.38
Dipole, Da:	5.23
IP(EA), eV:	-8.56(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2,4-difluorophenoxy)-5-(2-methylsulfonylpropan-2-yl)phenyl]-7-hydroxy-6-methylpyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC(=C(C=C1)OCC2CC(C2)(F)F)C3=C4C=CN=C4N(C(=C3)C)O

DOS

IR

Vibrations