Geometry & MOs

Info

ID:	66689
PubChem CID:	46505066
Reduced:	BrSN3O3C21H32 (1)
Stoich.:	ABC3D3E21F32 (1)
Weight, g/mol:	471.11913
ΔH_f, kcal/mol:	-99.4
Dipole, Da:	8.91
IP(EA), eV:	-8.43(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-[butyl(ethyl)amino]ethyl]-1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CCCN(CCC)CCCNS(=O)(=O)C1=C(C=C2CCN(C2=C1)C(=O)C3CC3)Br

DOS

IR

Vibrations