Geometry & MOs

Info

ID:	199447
PubChem CID:	79247074
Reduced:	ON2F3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	268.088164
ΔH_f, kcal/mol:	-195.1
Dipole, Da:	4.46
IP(EA), eV:	-9.04(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

CC(C)C(CO)NC1=NC=CC(=C1)C(F)(F)F

DOS

IR

Vibrations