Geometry & MOs

Info

ID:	66690
PubChem CID:	46505067
Reduced:	BrSN3O3C20H30 (1)
Stoich.:	ABC3D3E20F30 (1)
Weight, g/mol:	497.13478
ΔH_f, kcal/mol:	-97.23
Dipole, Da:	9.76
IP(EA), eV:	-8.2(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-(cyclopropanecarbonyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CCCCN(CC)CCNS(=O)(=O)C1=C(C=C2CCN(C2=C1)C(=O)C3CC3)Br

DOS

IR

Vibrations