Geometry & MOs

Info

ID:	66599
PubChem CID:	46504880
Reduced:	BrSN3O3C21H26 (1)
Stoich.:	ABC3D3E21F26 (1)
Weight, g/mol:	507.11913
ΔH_f, kcal/mol:	-66.72
Dipole, Da:	4.36
IP(EA), eV:	-9.06(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[benzyl(ethyl)amino]propyl]-5-bromo-1-propanoyl-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)NCCN(C)CC3=CC=CC=C3)Br

DOS

IR

Vibrations