Geometry & MOs

Info

ID:	66595
PubChem CID:	46504874
Reduced:	BrSN3O3C16H24 (1)
Stoich.:	ABC3D3E16F24 (1)
Weight, g/mol:	493.10348
ΔH_f, kcal/mol:	-101.44
Dipole, Da:	6.42
IP(EA), eV:	-8.83(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[benzyl(methyl)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)NCCCN(C)C)Br

DOS

IR

Vibrations