Geometry & MOs

Info

ID:	49834
PubChem CID:	11533934
Reduced:	FN4O6C28H31 (1)
Stoich.:	AB4C6D28E31 (1)
Weight, g/mol:	538.157386
ΔH_f, kcal/mol:	-217.13
Dipole, Da:	10.64
IP(EA), eV:	-8.81(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(2-fluoroethoxy)phenyl]methyl]-5-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OC[C@H](C[C@H](CC(=O)N5CCCC5)O)O

DOS

IR

Vibrations