Geometry & MOs

Info

ID:	66551
PubChem CID:	46504783
Reduced:	BrClSN3O5H21C26 (1)
Stoich.:	ABCD3E5F21G26 (1)
Weight, g/mol:	436.04563
ΔH_f, kcal/mol:	-130.48
Dipole, Da:	10.06
IP(EA), eV:	-8.47(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)NC3=CC(=C(C=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)Cl)C)Br

DOS

IR

Vibrations