Geometry & MOs

Info

ID:	66300
PubChem CID:	46504157
Reduced:	BrSN2O3C18H19 (1)
Stoich.:	ABC2D3E18F19 (1)
Weight, g/mol:	550.12494
ΔH_f, kcal/mol:	-78.39
Dipole, Da:	9.02
IP(EA), eV:	-8.91(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-5-bromo-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydroindole-7-sulfonamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NS(=O)(=O)C2=C(C=C3CCN(C3=C2)C(=O)C)Br

DOS

IR

Vibrations