Geometry & MOs

Info

ID:	429874
PubChem CID:	135169928
Reduced:	F3N4C14H17 (1)
Stoich.:	A3B4C14D17 (1)
Weight, g/mol:	536.86172
ΔH_f, kcal/mol:	-75.63
Dipole, Da:	4.02
IP(EA), eV:	-8.54(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-iodo-5-(pyrimidin-5-ylmethylcarbamoyl)pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

CN=C1/C(=C\N)/CCC=C1N=C(/C(=C\N)/C=C)C(F)(F)F

DOS

IR

Vibrations