Geometry & MOs

Info

ID:	66576
PubChem CID:	46504836
Reduced:	BrFSN3O3C21H23 (1)
Stoich.:	ABCD3E3F21G23 (1)
Weight, g/mol:	543.9891
ΔH_f, kcal/mol:	-114.92
Dipole, Da:	10.17
IP(EA), eV:	-8.46(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-1-propanoyl-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F)Br

DOS

IR

Vibrations