Geometry & MOs

Info

ID:	66712
PubChem CID:	46505115
Reduced:	BrFSN2O3H16C17 (1)
Stoich.:	ABCD2E3F16G17 (1)
Weight, g/mol:	414.06128
ΔH_f, kcal/mol:	-129.67
Dipole, Da:	10.59
IP(EA), eV:	-8.77(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations