Geometry & MOs

Info

ID:	288872
PubChem CID:	104327462
Reduced:	FNO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	308.063092
ΔH_f, kcal/mol:	-176.72
Dipole, Da:	3.2
IP(EA), eV:	-9.77(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4-fluoro-2-methylbenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CC(C)C(=O)O)C(=O)C1=C(C=C(C=C1)F)C

DOS

IR

Vibrations