Geometry & MOs

Info

ID:	148045
PubChem CID:	53787707
Reduced:	NC12H17 (1)
Stoich.:	AB12C17 (1)
Weight, g/mol:	328.044855
ΔH_f, kcal/mol:	22.07
Dipole, Da:	1.69
IP(EA), eV:	-9.75(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-amino-3-[2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]propanoate

Drug info:

PubChemData

Smile

C=CCCCCCC1=CC=CC=N1

DOS

IR

Vibrations