Geometry & MOs

Info

ID:	66580
PubChem CID:	46504845
Reduced:	BrSN2O4C19H21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	507.08274
ΔH_f, kcal/mol:	-120.72
Dipole, Da:	7.1
IP(EA), eV:	-8.22(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)NC3=CC=CC=C3OCC)Br

DOS

IR

Vibrations