Geometry & MOs

Info

ID:	204349
PubChem CID:	79952183
Reduced:	NSO3C12H21 (1)
Stoich.:	ABC3D12E21 (1)
Weight, g/mol:	275.05917
ΔH_f, kcal/mol:	-144.33
Dipole, Da:	7.06
IP(EA), eV:	-8.87(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzothiazol-2-yl)-5,5,5-trifluoropentan-2-ol

Drug info:

PubChemData

Smile

CC1C(CCCS1)(CC(=O)O)N2CCOCC2

DOS

IR

Vibrations