Geometry & MOs

Info

ID:	261819
PubChem CID:	103252926
Reduced:	NO4C9H15 (1)
Stoich.:	AB4C9D15 (1)
Weight, g/mol:	272.083078
ΔH_f, kcal/mol:	-182.28
Dipole, Da:	8.07
IP(EA), eV:	-9.31(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(4-ethoxy-4-oxobutyl)amino]methyl]-1,3-thiazole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)CCCN/C=C/C(=O)O

DOS

IR

Vibrations