Geometry & MOs

Info

ID:	390730
PubChem CID:	135000602
Reduced:	ClN2O2F3C13H16 (1)
Stoich.:	AB2C2D3E13F16 (1)
Weight, g/mol:	471.036578
ΔH_f, kcal/mol:	-168.44
Dipole, Da:	8.09
IP(EA), eV:	-8.78(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)sulfonyl-2,4-bis(4-methylphenoxy)-1,3-thiazole

Drug info:

PubChemData

Smile

CC[N+](=C(CC1=CC=C(C=C1)[N+](=O)[O-])C(F)(F)F)CC.[Cl-]

DOS

IR

Vibrations