Geometry & MOs

Info

ID:	66574
PubChem CID:	46504830
Reduced:	BrSN2O4C14H19 (1)
Stoich.:	ABC2D4E14F19 (1)
Weight, g/mol:	428.07693
ΔH_f, kcal/mol:	-138.91
Dipole, Da:	10.29
IP(EA), eV:	-9.1(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations