Geometry & MOs

Info

ID:	297552
PubChem CID:	117621180
Reduced:	ClSN4O4C26H27 (1)
Stoich.:	ABC4D4E26F27 (1)
Weight, g/mol:	546.09401
ΔH_f, kcal/mol:	-66.36
Dipole, Da:	7.15
IP(EA), eV:	-8.87(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)N=C(N2C3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5Cl

DOS

IR

Vibrations