Geometry & MOs

Info

ID:	227580
PubChem CID:	87562031
Reduced:	ClN2O3C9H17 (1)
Stoich.:	AB2C3D9E17 (1)
Weight, g/mol:	441.02704
ΔH_f, kcal/mol:	-168.36
Dipole, Da:	6.73
IP(EA), eV:	-9.97(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-bromo-1,3-benzothiazol-2-yl)-3-[2-[5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea

Drug info:

PubChemData

Smile

CC(C)(C)C(CN(C)C(=O)Cl)NC(=O)O

DOS

IR

Vibrations