Geometry & MOs

Info

ID:	179867
PubChem CID:	76547506
Reduced:	ClNO3C6H14 (1)
Stoich.:	ABC3D6E14 (1)
Weight, g/mol:	580.111809
ΔH_f, kcal/mol:	-162.92
Dipole, Da:	6.27
IP(EA), eV:	-10.6(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-4-[6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)O)ON.Cl

DOS

IR

Vibrations