Geometry & MOs

Info

ID:	66578
PubChem CID:	46504843
Reduced:	BrSN2O4C16H23 (1)
Stoich.:	ABC2D4E16F23 (1)
Weight, g/mol:	507.08274
ΔH_f, kcal/mol:	-148.32
Dipole, Da:	6.23
IP(EA), eV:	-9.08(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-bromo-6-[4-(2-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)NCCCOCC)Br

DOS

IR

Vibrations