Geometry & MOs

Info

ID:	229171
PubChem CID:	87567103
Reduced:	BrCl2O2H7C9 (1)
Stoich.:	AB2C2D7E9 (1)
Weight, g/mol:	383.073991
ΔH_f, kcal/mol:	-35.24
Dipole, Da:	0.71
IP(EA), eV:	-9.27(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]-N-(1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OCC2(C(O2)Cl)Cl)Br

DOS

IR

Vibrations