Geometry & MOs

Info

ID:	66685
PubChem CID:	46505061
Reduced:	BrSN3O3C21H30 (1)
Stoich.:	ABC3D3E21F30 (1)
Weight, g/mol:	455.08783
ΔH_f, kcal/mol:	-90.96
Dipole, Da:	9.56
IP(EA), eV:	-8.47(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-(cyclopropanecarbonyl)-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)CCCNS(=O)(=O)C2=C(C=C3CCN(C3=C2)C(=O)C4CC4)Br

DOS

IR

Vibrations