Geometry & MOs

Info

ID:	203365
PubChem CID:	79820386
Reduced:	ClF2N2O2H11C13 (1)
Stoich.:	AB2C2D2E11F13 (1)
Weight, g/mol:	297.099892
ΔH_f, kcal/mol:	-125.09
Dipole, Da:	4.66
IP(EA), eV:	-9.45(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3,5-difluorophenyl)ethanol

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C2=C(C=CC(=C2)Cl)OC(F)F)C=O

DOS

IR

Vibrations