Geometry & MOs

Info

ID:	268929
PubChem CID:	103602449
Reduced:	BrSO2N3C12H12 (1)
Stoich.:	ABC2D3E12F12 (1)
Weight, g/mol:	528.80306
ΔH_f, kcal/mol:	-5.27
Dipole, Da:	3.9
IP(EA), eV:	-9.58(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-iodobenzamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=C(S1)Br)C(=O)C2=NNC(=O)C=C2

DOS

IR

Vibrations