Geometry & MOs

Info

ID:	297556
PubChem CID:	117621388
Reduced:	SF2N3O4H21C25 (1)
Stoich.:	AB2C3D4E21F25 (1)
Weight, g/mol:	547.089259
ΔH_f, kcal/mol:	-150.35
Dipole, Da:	4.91
IP(EA), eV:	-8.94(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloropyridin-3-yl)-3-[1-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfonyl]piperidin-4-yl]-5-methylimidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

C1CN(CCC1N2C3=CC=CC=C3N=C2C4=CC=CC=C4)S(=O)(=O)C5=CC6=C(C=C5)OC(O6)(F)F

DOS

IR

Vibrations