Geometry & MOs

Info

ID:	320279
PubChem CID:	126659211
Reduced:	NC11H15 (1)
Stoich.:	AB11C15 (1)
Weight, g/mol:	465.125535
ΔH_f, kcal/mol:	29.34
Dipole, Da:	3.96
IP(EA), eV:	-9.25(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(5R)-2-oxo-5-[(1E,4S)-7,8,8-trifluoro-4-hydroxy-4-methylocta-1,7-dienyl]cyclopentyl]ethylsulfanyl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)C1=CCC(C=C1)C#N

DOS

IR

Vibrations