Geometry & MOs

Info

ID:	162640
PubChem CID:	57410889
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	336.093249
ΔH_f, kcal/mol:	-125.97
Dipole, Da:	2.75
IP(EA), eV:	-7.99(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-cyano-4-(2-cyclopentylethynyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C2CN3CCC4=C(C3CC2C(=CO1)OC(=O)C)NC5=C4C=CC(=C5)OC

DOS

IR

Vibrations