Geometry & MOs

Info

ID:	66682
PubChem CID:	46505057
Reduced:	BrSN3O3C20H28 (1)
Stoich.:	ABC3D3E20F28 (1)
Weight, g/mol:	580.09105
ΔH_f, kcal/mol:	-89.99
Dipole, Da:	9.28
IP(EA), eV:	-8.54(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CCCNS(=O)(=O)C2=C(C=C3CCN(C3=C2)C(=O)C4CC4)Br

DOS

IR

Vibrations