Geometry & MOs

Info

ID:	372900
PubChem CID:	131306743
Reduced:	NSO2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	223.0667
ΔH_f, kcal/mol:	-36.85
Dipole, Da:	3.56
IP(EA), eV:	-8.44(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-2-penta-1,3-dienyl-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=C(S1)N2CCOCC2)/C=O

DOS

IR

Vibrations