Geometry & MOs

Info

ID:	269086
PubChem CID:	103611858
Reduced:	NSBr2O3C12H15 (1)
Stoich.:	ABC2D3E12F15 (1)
Weight, g/mol:	407.90047
ΔH_f, kcal/mol:	-105.66
Dipole, Da:	8.23
IP(EA), eV:	-9.43(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-chloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1CNCC2=CC(=C(C(=C2)Br)O)Br

DOS

IR

Vibrations