Geometry & MOs

Info

ID:	66561
PubChem CID:	46504803
Reduced:	BrSN2O3C17H23 (1)
Stoich.:	ABC2D3E17F23 (1)
Weight, g/mol:	466.01981
ΔH_f, kcal/mol:	-113.32
Dipole, Da:	7.6
IP(EA), eV:	-8.48(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)N3CCCCCC3)Br

DOS

IR

Vibrations