Geometry & MOs

Info

ID:	402568
PubChem CID:	135056425
Reduced:	ClNF3C8H9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	261.001513
ΔH_f, kcal/mol:	-174.22
Dipole, Da:	5.49
IP(EA), eV:	-10.17(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)sulfanyl-1,3-benzoxazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](C(F)(F)F)[NH3+].[Cl-]

DOS

IR

Vibrations