Geometry & MOs

Info

ID:	66519
PubChem CID:	46504727
Reduced:	BrClSN3O4C23H25 (1)
Stoich.:	ABCD3E4F23G25 (1)
Weight, g/mol:	547.11404
ΔH_f, kcal/mol:	-122.65
Dipole, Da:	9.17
IP(EA), eV:	-8.54(-0.91)
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-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)Br

DOS

IR

Vibrations