Geometry & MOs

Info

ID:	439409
PubChem CID:	135229183
Reduced:	SO2N5F6C21H23 (1)
Stoich.:	AB2C5D6E21F23 (1)
Weight, g/mol:	445.085402
ΔH_f, kcal/mol:	-343.69
Dipole, Da:	7.05
IP(EA), eV:	-9.67(-1.28)
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-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=C(N=C(N1C)C2CCC(CC2)C(F)(F)F)C3=NC4=CC(=NC=C4N3C)C(F)(F)F

DOS

IR

Vibrations