Geometry & MOs

Info

ID:	49592
PubChem CID:	11533325
Reduced:	NS2O9C21H21 (1)
Stoich.:	AB2C9D21E21 (1)
Weight, g/mol:	495.12642
ΔH_f, kcal/mol:	-267.4
Dipole, Da:	6.32
IP(EA), eV:	-8.65(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-fluoropyridin-3-yl)methyl]-5-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione

Drug info:

PubChemData

Smile

CCOC(=O)C\1=C(C2=CC(=C(C=C2/C1=[N+](/C)\[O-])OS(=O)(=O)C)OS(=O)(=O)C)C3=CC=CC=C3

DOS

IR

Vibrations