Geometry & MOs

Info

ID:	66572
PubChem CID:	46504823
Reduced:	BrSN3O3C17H26 (1)
Stoich.:	ABC3D3E17F26 (1)
Weight, g/mol:	416.07693
ΔH_f, kcal/mol:	-99.53
Dipole, Da:	9.65
IP(EA), eV:	-8.51(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-butyl-N-ethyl-1-propanoyl-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)N(CC)CCN(C)C)Br

DOS

IR

Vibrations