Geometry & MOs

Info

ID:	197583
PubChem CID:	78979005
Reduced:	BrF2O2H11C15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	275.049526
ΔH_f, kcal/mol:	-123.42
Dipole, Da:	5.3
IP(EA), eV:	-9.47(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(4-ethylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=CC(=C1)F)OCC2=C(C=CC(=C2)Br)F

DOS

IR

Vibrations