Geometry & MOs

Info

ID:	260253
PubChem CID:	103186665
Reduced:	ClFNSO4H7C12 (1)
Stoich.:	ABCDE4F7G12 (1)
Weight, g/mol:	297.031647
ΔH_f, kcal/mol:	-155.65
Dipole, Da:	0.73
IP(EA), eV:	-9.9(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-5-fluorobenzoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=C(N=C(S1)C2=CC(=CC(=C2)F)C(=O)O)Cl

DOS

IR

Vibrations