Geometry & MOs

Info

ID:	283562
PubChem CID:	103989000
Reduced:	ClSN2O4C11H11 (1)
Stoich.:	ABC2D4E11F11 (1)
Weight, g/mol:	442.90179
ΔH_f, kcal/mol:	-113.42
Dipole, Da:	4.33
IP(EA), eV:	-10.4(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-5-iodobenzamide

Drug info:

PubChemData

Smile

COC(=O)CCNS(=O)(=O)C1=C(C=C(C=C1)C#N)Cl

DOS

IR

Vibrations