Geometry & MOs

Info

ID:	374597
PubChem CID:	131331912
Reduced:	BrNF3O3H5C7 (1)
Stoich.:	ABC3D3E5F7 (1)
Weight, g/mol:	269.93501
ΔH_f, kcal/mol:	-262.43
Dipole, Da:	5.65
IP(EA), eV:	-9.36(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-bromo-1-benzothiophene-5-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C(=O)NC(=C1)OC(F)(F)F)Br

DOS

IR

Vibrations