Geometry & MOs

Info

ID:	66296
PubChem CID:	46504152
Reduced:	BrSO3N4C22H27 (1)
Stoich.:	ABC3D4E22F27 (1)
Weight, g/mol:	477.07218
ΔH_f, kcal/mol:	-58.55
Dipole, Da:	10.96
IP(EA), eV:	-8.16(-0.79)
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]-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)NCCN3CCN(CC3)C4=CC=CC=C4)Br

DOS

IR

Vibrations