Geometry & MOs

Info

ID:	234031
PubChem CID:	92297570
Reduced:	ClO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	245.05105
ΔH_f, kcal/mol:	-81.69
Dipole, Da:	0.81
IP(EA), eV:	-9.53(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(1,3-benzothiazol-2-yl)-1-(furan-2-yl)ethanol

Drug info:

PubChemData

Smile

C[C@](C1OCCO1)(C2=CC=CC=C2)Cl

DOS

IR

Vibrations