Geometry & MOs

Info

ID:	66640
PubChem CID:	46504968
Reduced:	BrSN3O3C22H24 (1)
Stoich.:	ABC3D3E22F24 (1)
Weight, g/mol:	495.11913
ΔH_f, kcal/mol:	-44.86
Dipole, Da:	9.38
IP(EA), eV:	-8.01(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-bromo-6-(4-cyclohexylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC3=CC(=C(C=C32)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5)Br

DOS

IR

Vibrations