Geometry & MOs

Info

ID:	66727
PubChem CID:	46505148
Reduced:	BrSN2O3C21H25 (1)
Stoich.:	ABC2D3E21F25 (1)
Weight, g/mol:	452.04054
ΔH_f, kcal/mol:	-96.27
Dipole, Da:	9.35
IP(EA), eV:	-8.97(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-5-bromo-N-[(2-methoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations