Geometry & MOs

Info

ID:	288875
PubChem CID:	104327516
Reduced:	FNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	308.063092
ΔH_f, kcal/mol:	-178.02
Dipole, Da:	6.74
IP(EA), eV:	-10.13(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(4-fluoro-2-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CNC(=O)C1=C(C=C(C=C1)F)C)C(=O)O

DOS

IR

Vibrations