Geometry & MOs

Info

ID:	128376
PubChem CID:	51042078
Reduced:	NSO3C22H37 (1)
Stoich.:	ABC3D22E37 (1)
Weight, g/mol:	317.108565
ΔH_f, kcal/mol:	-154.45
Dipole, Da:	1.18
IP(EA), eV:	-10.11(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(5-phenylpentanoyl)-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)C1=NC(=CS1)C(=O)OCC

DOS

IR

Vibrations