Geometry & MOs

Info

ID:	66718
PubChem CID:	46505129
Reduced:	BrSN3O3C23H28 (1)
Stoich.:	ABC3D3E23F28 (1)
Weight, g/mol:	525.04885
ΔH_f, kcal/mol:	-82.17
Dipole, Da:	9.47
IP(EA), eV:	-8.55(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC2=CC(=C(C=C2N1C(=O)C)S(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4C)C)Br

DOS

IR

Vibrations