Geometry & MOs

Info

ID:	297553
PubChem CID:	117621181
Reduced:	ClSF2N4O4H21C25 (1)
Stoich.:	ABC2D4E4F21G25 (1)
Weight, g/mol:	517.074216
ΔH_f, kcal/mol:	-166.5
Dipole, Da:	4.12
IP(EA), eV:	-9.03(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(3-chloropyridin-4-yl)imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)N=C(N2C3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OC(O5)(F)F)C6=CC=CC=C6Cl

DOS

IR

Vibrations