Geometry & MOs

Info

ID:	439562
PubChem CID:	135229338
Reduced:	SC13H22 (1)
Stoich.:	AB13C22 (1)
Weight, g/mol:	412.123463
ΔH_f, kcal/mol:	-18.66
Dipole, Da:	1.04
IP(EA), eV:	-8.96(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-fluoro-1-(2-fluoroethyl)indol-3-yl]-4-[3-(2-hydroxyethoxy)phenyl]pyrrole-2,5-dione

Drug info:

PubChemData

Smile

CCCCCC(CCC)C1=CC=CS1

DOS

IR

Vibrations