Geometry & MOs

Info

ID:	66615
PubChem CID:	46504911
Reduced:	BrSN2O3C19H21 (1)
Stoich.:	ABC2D3E19F21 (1)
Weight, g/mol:	520.11437
ΔH_f, kcal/mol:	-76.83
Dipole, Da:	9.1
IP(EA), eV:	-8.94(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-propanoyl-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)N(C)C3=CC=CC(=C3)C)Br

DOS

IR

Vibrations