Geometry & MOs

Info

ID:	59624
PubChem CID:	24890560
Reduced:	NO2F6C13H15 (1)
Stoich.:	AB2C6D13E15 (1)
Weight, g/mol:	542.246396
ΔH_f, kcal/mol:	-404.23
Dipole, Da:	4.04
IP(EA), eV:	-9.4(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[6-(2-piperidin-1-ylethyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea

Drug info:

PubChemData

Smile

CCCN[C@H](C)C1=CC(=CC(=C1)OC(F)(F)F)OC(F)(F)F

DOS

IR

Vibrations