Geometry & MOs

Info

ID:	66745
PubChem CID:	46505186
Reduced:	BrFSO3N4C24H30 (1)
Stoich.:	ABCD3E4F24G30 (1)
Weight, g/mol:	491.08783
ΔH_f, kcal/mol:	-117.83
Dipole, Da:	8.01
IP(EA), eV:	-8.44(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-5-bromo-N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-methyl-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CC1CC2=CC(=C(C=C2N1C(=O)C)S(=O)(=O)NCCCN3CCN(CC3)C4=CC=CC=C4F)Br

DOS

IR

Vibrations