Geometry & MOs

Info

ID:	66518
PubChem CID:	46504720
Reduced:	BrSN2O4C21H23 (1)
Stoich.:	ABC2D4E21F23 (1)
Weight, g/mol:	553.04377
ΔH_f, kcal/mol:	-130.13
Dipole, Da:	9.71
IP(EA), eV:	-8.7(-0.95)
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-(3-chlorophenyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CCS(=O)(=O)C2=C(C=C3CCN(C3=C2)C(=O)C)Br

DOS

IR

Vibrations