Geometry & MOs

Info

ID:	447237
PubChem CID:	135281377
Reduced:	BrClO3N4C18H20 (1)
Stoich.:	ABC3D4E18F20 (1)
Weight, g/mol:	505.155053
ΔH_f, kcal/mol:	-58.64
Dipole, Da:	6.35
IP(EA), eV:	-8.09(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-chloro-2-[7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenoxy]ethanamine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C2=CN3CN(C(=CC3=N2)N4CCOCC4)Br)Cl)OC

DOS

IR

Vibrations