Geometry & MOs

Info

ID:	66651
PubChem CID:	46504992
Reduced:	BrSN3O3C23H26 (1)
Stoich.:	ABC3D3E23F26 (1)
Weight, g/mol:	452.02055
ΔH_f, kcal/mol:	-46.94
Dipole, Da:	8.22
IP(EA), eV:	-8.54(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC3=CC(=C(C=C32)S(=O)(=O)N4CCN(CC4)CC5=CC=CC=C5)Br

DOS

IR

Vibrations