Geometry & MOs

Info

ID:	264719
PubChem CID:	103485348
Reduced:	NSO3C16H17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	243.092915
ΔH_f, kcal/mol:	-84.86
Dipole, Da:	2.46
IP(EA), eV:	-9.03(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=CSC(=N1)C2CC3=CC=CC=C3O2

DOS

IR

Vibrations