Geometry & MOs

Info

ID:	429970
PubChem CID:	135170025
Reduced:	FN3C21H22 (1)
Stoich.:	AB3C21D22 (1)
Weight, g/mol:	444.82428
ΔH_f, kcal/mol:	18.68
Dipole, Da:	3.64
IP(EA), eV:	-9.3(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-carbamoyl-3-iodopyrrolo[2,3-b]pyridin-1-yl) thiohypoiodite

Drug info:

PubChemData

Smile

CC(C)C1=CC(=NC(=N1)C2=CC(=C(N=C2)C3=CC=CC=C3)F)C(C)C

DOS

IR

Vibrations