Geometry & MOs

Info

ID:	66676
PubChem CID:	46505050
Reduced:	BrSN2O3C17H21 (1)
Stoich.:	ABC2D3E17F21 (1)
Weight, g/mol:	545.062
ΔH_f, kcal/mol:	-78.1
Dipole, Da:	9.59
IP(EA), eV:	-8.94(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]sulfonyl]-1-(2-phenylethyl)piperazine-2,6-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations