Geometry & MOs

Info

ID:	439564
PubChem CID:	135229340
Reduced:	SF2N2O2H12C18 (1)
Stoich.:	AB2C2D2E12F18 (1)
Weight, g/mol:	418.088434
ΔH_f, kcal/mol:	-81.78
Dipole, Da:	4.6
IP(EA), eV:	-8.98(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-chloro-1-(2-fluoroethyl)indol-3-yl]-4-naphthalen-2-ylpyrrole-2,5-dione

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1F)C(=CN2CCF)C3=C(C(=O)NC3=O)C4=CSC=C4

DOS

IR

Vibrations