Geometry & MOs

Info

ID:	66547
PubChem CID:	46504770
Reduced:	BrSN2O4C17H23 (1)
Stoich.:	ABC2D4E17F23 (1)
Weight, g/mol:	535.11404
ΔH_f, kcal/mol:	-162.7
Dipole, Da:	6.64
IP(EA), eV:	-8.98(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-N-[3-(N-ethylanilino)propyl]propanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)CCS(=O)(=O)C1=C(C=C2CCN(C2=C1)C(=O)C)Br

DOS

IR

Vibrations