Geometry & MOs

Info

ID:	66564
PubChem CID:	46504810
Reduced:	FSBr2N2O3H15C17 (1)
Stoich.:	ABC2D2E3F15G17 (1)
Weight, g/mol:	505.10348
ΔH_f, kcal/mol:	-117.71
Dipole, Da:	9.47
IP(EA), eV:	-8.66(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-bromo-6-[4-(2,3-dimethylphenyl)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)NC3=C(C=C(C=C3)Br)F)Br

DOS

IR

Vibrations