Geometry & MOs

Info

ID:	66721
PubChem CID:	46505137
Reduced:	BrSN3O3C17H26 (1)
Stoich.:	ABC3D3E17F26 (1)
Weight, g/mol:	480.03546
ΔH_f, kcal/mol:	-112.15
Dipole, Da:	10.81
IP(EA), eV:	-8.61(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(1-acetyl-5-bromo-2-methyl-2,3-dihydroindol-6-yl)sulfonylamino]benzoate

Drug info:

PubChemData

Smile

CCN(CC)CCNS(=O)(=O)C1=C(C=C2CC(N(C2=C1)C(=O)C)C)Br

DOS

IR

Vibrations