Geometry & MOs

Info

ID:	437844
PubChem CID:	135227130
Reduced:	SF2N2O2C24H26 (1)
Stoich.:	AB2C2D2E24F26 (1)
Weight, g/mol:	530.99474
ΔH_f, kcal/mol:	-147.57
Dipole, Da:	2.54
IP(EA), eV:	-8.44(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[5-(cyclopentylsulfonimidoyl)-2-fluorophenyl]-6-methyl-7-oxopyrrolo[2,3-c]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C1=O)NC=C2)C3=C(C=CC(=C3)SC4CCC4)OC5CCC(CC5)(F)F

DOS

IR

Vibrations