Geometry & MOs

Info

ID:	66715
PubChem CID:	46505126
Reduced:	FSBr2N2O3H15C17 (1)
Stoich.:	ABC2D2E3F15G17 (1)
Weight, g/mol:	511.0332
ΔH_f, kcal/mol:	-122.57
Dipole, Da:	10.62
IP(EA), eV:	-8.72(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-bromo-6-[4-(3-chlorophenyl)piperazin-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)NC3=C(C=C(C=C3)Br)F)Br

DOS

IR

Vibrations