Geometry & MOs

Info

ID:	257489
PubChem CID:	103146560
Reduced:	NSF3O3C9H10 (1)
Stoich.:	ABC3D3E9F10 (1)
Weight, g/mol:	323.005083
ΔH_f, kcal/mol:	-266.11
Dipole, Da:	2.78
IP(EA), eV:	-10.04(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,2,2-trifluoroethoxy)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CCOCC(F)(F)F)C(=O)O

DOS

IR

Vibrations