Geometry & MOs

Info

ID:	66565
PubChem CID:	46504812
Reduced:	BrSN3O3C23H28 (1)
Stoich.:	ABC3D3E23F28 (1)
Weight, g/mol:	505.10348
ΔH_f, kcal/mol:	-87.58
Dipole, Da:	8.38
IP(EA), eV:	-8.53(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-bromo-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4C)C)Br

DOS

IR

Vibrations