Geometry & MOs

Info

ID:	429791
PubChem CID:	135169843
Reduced:	OF3N9H20C22 (1)
Stoich.:	AB3C9D20E22 (1)
Weight, g/mol:	498.87123
ΔH_f, kcal/mol:	-21.91
Dipole, Da:	3.92
IP(EA), eV:	-8.43(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-iodo-5-[methyl(prop-2-enyl)carbamoyl]pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1/C(=N/N(C)N)/N)NC(=O)C2=C(N(N=C2)C3=CC=CC4=C3C=CC=N4)C(F)(F)F

DOS

IR

Vibrations