Geometry & MOs

Info

ID:	66635
PubChem CID:	46504957
Reduced:	BrSN2O3H19C20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	426.06128
ΔH_f, kcal/mol:	-40.81
Dipole, Da:	10.33
IP(EA), eV:	-8.25(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-bromo-6-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC3=CC(=C(C=C32)S(=O)(=O)N4CCC5=CC=CC=C54)Br

DOS

IR

Vibrations