Geometry & MOs

Info

ID:	404389
PubChem CID:	135066123
Reduced:	FNSO4C21H24 (1)
Stoich.:	ABCD4E21F24 (1)
Weight, g/mol:	272.011885
ΔH_f, kcal/mol:	-168.26
Dipole, Da:	5.7
IP(EA), eV:	-9.75(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2,4,6-trifluorophenyl)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCCCOC(=O)/C=C/C1=C(C=CC(=C1)F)C(C)CS(=O)(=O)C2=CC=CC=N2

DOS

IR

Vibrations