Geometry & MOs

Info

ID:	172253
PubChem CID:	75485491
Reduced:	ClON2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	309.045394
ΔH_f, kcal/mol:	-73.91
Dipole, Da:	6.05
IP(EA), eV:	-8.3(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-(trifluoromethyl)phenyl]boronic acid

Drug info:

PubChemData

Smile

CC(=O)N1CCCC2=C1C=C(C=C2)N.Cl

DOS

IR

Vibrations