Geometry & MOs

Info

ID:	242217
PubChem CID:	96079626
Reduced:	FO3H11C14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	259.046713
ΔH_f, kcal/mol:	-125.64
Dipole, Da:	5.17
IP(EA), eV:	-9.98(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-1,3-benzothiazol-2-yl-(2-fluorophenyl)methanol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[C@H](C2=CC=CC=C2F)O)C(=O)O

DOS

IR

Vibrations