Geometry & MOs

Info

ID:	66724
PubChem CID:	46505145
Reduced:	BrSN2O4C19H19 (1)
Stoich.:	ABC2D4E19F19 (1)
Weight, g/mol:	490.09258
ΔH_f, kcal/mol:	-116.01
Dipole, Da:	8.21
IP(EA), eV:	-8.93(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(4-benzylpiperidin-1-yl)sulfonyl-5-bromo-2-methyl-2,3-dihydroindol-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1CC2=CC(=C(C=C2N1C(=O)C)S(=O)(=O)NC3=CC=CC(=C3)C(=O)C)Br

DOS

IR

Vibrations