Geometry & MOs

Info

ID:	66716
PubChem CID:	46505127
Reduced:	BrClSN3O3C21H23 (1)
Stoich.:	ABCD3E3F21G23 (1)
Weight, g/mol:	483.11913
ΔH_f, kcal/mol:	-88.56
Dipole, Da:	5.73
IP(EA), eV:	-8.42(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-bromo-6-(4-cyclohexylpiperazin-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=C4)Cl)Br

DOS

IR

Vibrations