Geometry & MOs

Info

ID:	27330
PubChem CID:	820697
Reduced:	NO2S2H5C7 (1)
Stoich.:	AB2C2D5E7 (1)
Weight, g/mol:	259.043378
ΔH_f, kcal/mol:	-25.68
Dipole, Da:	5.36
IP(EA), eV:	-9.19(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-2-tert-butyl-7-chloro-1-oxo-3H-1,2-benzothiazol-3-ol

Drug info:

PubChemData

Smile

CC1=NSC2=C1SC=C2C(=O)O

DOS

IR

Vibrations