Geometry & MOs

Info

ID:	58665
PubChem CID:	24712430
Reduced:	NSO3C13H13 (1)
Stoich.:	ABC3D13E13 (1)
Weight, g/mol:	296.038627
ΔH_f, kcal/mol:	-76.46
Dipole, Da:	7.04
IP(EA), eV:	-8.94(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=NC(=CS2)C(=O)O)C

DOS

IR

Vibrations