Geometry & MOs

Info

ID:	66589
PubChem CID:	46504863
Reduced:	BrSN2O3C15H21 (1)
Stoich.:	ABC2D3E15F21 (1)
Weight, g/mol:	400.04563
ΔH_f, kcal/mol:	-111.98
Dipole, Da:	7.89
IP(EA), eV:	-8.44(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-6-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)N(CC)CC)Br

DOS

IR

Vibrations