Geometry & MOs

Info

ID:	66734
PubChem CID:	46505161
Reduced:	BrSN3O5C19H26 (1)
Stoich.:	ABC3D5E19F26 (1)
Weight, g/mol:	535.07765
ΔH_f, kcal/mol:	-212.89
Dipole, Da:	9.52
IP(EA), eV:	-8.95(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-5-bromo-2-methyl-2,3-dihydroindol-1-yl]ethanone

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)NS(=O)(=O)C2=C(C=C3CC(N(C3=C2)C(=O)C)C)Br

DOS

IR

Vibrations