Geometry & MOs

Info

ID:	66655
PubChem CID:	46505006
Reduced:	BrSN3O3C19H26 (1)
Stoich.:	ABC3D3E19F26 (1)
Weight, g/mol:	440.07693
ΔH_f, kcal/mol:	-78.97
Dipole, Da:	10.22
IP(EA), eV:	-8.71(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCCC1CNS(=O)(=O)C2=C(C=C3CCN(C3=C2)C(=O)C4CC4)Br

DOS

IR

Vibrations