Geometry & MOs

Info

ID:	66663
PubChem CID:	46505022
Reduced:	BrSN2O5H19C20 (1)
Stoich.:	ABC2D5E19F20 (1)
Weight, g/mol:	538.09258
ΔH_f, kcal/mol:	-135.25
Dipole, Da:	8.85
IP(EA), eV:	-8.94(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-5-bromo-1-(cyclopropanecarbonyl)-N-(2-phenylethyl)-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(C=C3CCN(C3=C2)C(=O)C4CC4)Br

DOS

IR

Vibrations