Geometry & MOs

Info

ID:	66575
PubChem CID:	46504835
Reduced:	BrSN2O3C18H25 (1)
Stoich.:	ABC2D3E18F25 (1)
Weight, g/mol:	495.06275
ΔH_f, kcal/mol:	-117.59
Dipole, Da:	10.94
IP(EA), eV:	-8.99(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-bromo-6-[4-(4-fluorophenyl)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)N3CC(CC(C3)C)C)Br

DOS

IR

Vibrations