Geometry & MOs

Info

ID:	432249
PubChem CID:	135172381
Reduced:	INO2C13H20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	572.25696
ΔH_f, kcal/mol:	-61.24
Dipole, Da:	4.03
IP(EA), eV:	-8.62(-1.71)
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-(4-methylpiperidin-1-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea

Drug info:

PubChemData

Smile

CCOC1=CC(=CC=C1)OCCCCCNI

DOS

IR

Vibrations