Geometry & MOs

Info

ID:	269702
PubChem CID:	103618685
Reduced:	BrINOH15C16 (1)
Stoich.:	ABCDE15F16 (1)
Weight, g/mol:	325.059564
ΔH_f, kcal/mol:	2.84
Dipole, Da:	6.05
IP(EA), eV:	-9.14(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=C(C=C(C=C2C)Br)C)I

DOS

IR

Vibrations