Geometry & MOs

Info

ID:	66546
PubChem CID:	46504767
Reduced:	BrSN2O5C17H21 (1)
Stoich.:	ABC2D5E17F21 (1)
Weight, g/mol:	430.05619
ΔH_f, kcal/mol:	-180.97
Dipole, Da:	8.23
IP(EA), eV:	-9.06(-0.82)
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-butylpropanamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)N3CCOCC3)Br

DOS

IR

Vibrations