Geometry & MOs

Info

ID:	66714
PubChem CID:	46505124
Reduced:	BrSN3O3C21H24 (1)
Stoich.:	ABC3D3E21F24 (1)
Weight, g/mol:	505.91337
ΔH_f, kcal/mol:	-65.12
Dipole, Da:	10.04
IP(EA), eV:	-8.37(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-5-bromo-N-(4-bromo-2-fluorophenyl)-2-methyl-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CC1CC2=CC(=C(C=C2N1C(=O)C)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)Br

DOS

IR

Vibrations