Geometry & MOs

Info

ID:	67229
PubChem CID:	46506102
Reduced:	BrSN2O6C21H27 (1)
Stoich.:	ABC2D6E21F27 (1)
Weight, g/mol:	551.08897
ΔH_f, kcal/mol:	-236.82
Dipole, Da:	5.99
IP(EA), eV:	-8.97(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)N3CCC4(CC3)OCCO4)Br

DOS

IR

Vibrations