Geometry & MOs

Info

ID:	31229
PubChem CID:	855274
Reduced:	O2N3C15H15 (1)
Stoich.:	A2B3C15D15 (1)
Weight, g/mol:	280.031791
ΔH_f, kcal/mol:	1.16
Dipole, Da:	4.66
IP(EA), eV:	-8.98(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=NC(=C(C=C2C=C1)C#N)N3CCOCC3

DOS

IR

Vibrations