Geometry & MOs

Info

ID:	439476
PubChem CID:	135229250
Reduced:	SO2F3N5C19H22 (1)
Stoich.:	AB2C3D5E19F22 (1)
Weight, g/mol:	461.080316
ΔH_f, kcal/mol:	-152.27
Dipole, Da:	9.97
IP(EA), eV:	-9.48(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyclopropyl-5-ethylsulfonyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethylsulfinyl)imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=C(N=C(N1C(C)C)C2CC2)C3=NC4=CC(=NC=C4N3C)C(F)(F)F

DOS

IR

Vibrations