Geometry & MOs

Info

ID:	446901
PubChem CID:	135278624
Reduced:	SF2N2O4H22C24 (1)
Stoich.:	AB2C2D4E22F24 (1)
Weight, g/mol:	512.159278
ΔH_f, kcal/mol:	-122.7
Dipole, Da:	4.31
IP(EA), eV:	-8.69(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)-4-(1,1,1-trifluoro-2-methylpropan-2-yl)sulfonylphenoxy]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CN=C2N1O)C3=C(C=CC(=C3)C(C)(C)S(=O)(=O)C)OC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations