Geometry & MOs

Info

ID:	66744
PubChem CID:	46505185
Reduced:	BrClSO3N4C24H30 (1)
Stoich.:	ABCD3E4F24G30 (1)
Weight, g/mol:	552.1206
ΔH_f, kcal/mol:	-88.26
Dipole, Da:	9.57
IP(EA), eV:	-8.23(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-5-bromo-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-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=C4)Cl)Br

DOS

IR

Vibrations