Geometry & MOs

Info

ID:	43654
PubChem CID:	10321597
Reduced:	H4F6C9 (2)
Stoich.:	A4B6C9 (2)
Weight, g/mol:	450.96018
ΔH_f, kcal/mol:	-553.52
Dipole, Da:	4.77
IP(EA), eV:	-10.71(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1,3-benzothiazole

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)[C@]2([C@](C(C2(F)F)(F)F)(C3=CC(=CC=C3)C(F)(F)F)F)F

DOS

IR

Vibrations