Geometry & MOs

Info

ID:	66528
PubChem CID:	46504738
Reduced:	BrSN2O5C21H21 (1)
Stoich.:	ABC2D5E21F21 (1)
Weight, g/mol:	520.07799
ΔH_f, kcal/mol:	-158.93
Dipole, Da:	13.72
IP(EA), eV:	-8.88(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)NC(=O)CCS(=O)(=O)C2=C(C=C3CCN(C3=C2)C(=O)C)Br

DOS

IR

Vibrations