Geometry & MOs

Info

ID:	207788
PubChem CID:	80449765
Reduced:	SN2O2C13H22 (1)
Stoich.:	AB2C2D13E22 (1)
Weight, g/mol:	296.155849
ΔH_f, kcal/mol:	-96.64
Dipole, Da:	9.09
IP(EA), eV:	-8.81(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butan-2-yl-2-(3-ethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)C1=C(SC(=N1)N(C)C(C)CC)C(=O)O

DOS

IR

Vibrations