Geometry & MOs

Info

ID:	36328
PubChem CID:	8001721
Reduced:	NO5C15H15 (1)
Stoich.:	AB5C15D15 (1)
Weight, g/mol:	399.105291
ΔH_f, kcal/mol:	-116.0
Dipole, Da:	2.24
IP(EA), eV:	-8.86(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)propanamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)OC)/C=C(\C#N)/C(=O)OCC=C

DOS

IR

Vibrations