Geometry & MOs

Info

ID:	66606
PubChem CID:	46504892
Reduced:	BrSN2O5C20H21 (1)
Stoich.:	ABC2D5E20F21 (1)
Weight, g/mol:	426.0049
ΔH_f, kcal/mol:	-157.42
Dipole, Da:	8.52
IP(EA), eV:	-9.09(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(3-fluorophenyl)-1-propanoyl-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)NC3=CC=CC(=C3)C(=O)OCC)Br

DOS

IR

Vibrations