Geometry & MOs

Info

ID:	66730
PubChem CID:	46505156
Reduced:	BrSN2O3C19H21 (1)
Stoich.:	ABC2D3E19F21 (1)
Weight, g/mol:	462.06128
ΔH_f, kcal/mol:	-94.47
Dipole, Da:	9.91
IP(EA), eV:	-8.44(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-5-bromo-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=C3CC(N(C3=C2)C(=O)C)C)Br

DOS

IR

Vibrations