Geometry & MOs

Info

ID:	429805
PubChem CID:	135169858
Reduced:	ClF3O4N5H15C21 (1)
Stoich.:	AB3C4D5E15F21 (1)
Weight, g/mol:	484.89196
ΔH_f, kcal/mol:	-228.68
Dipole, Da:	7.41
IP(EA), eV:	-9.25(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C=N1)NC(=O)/C(=C/N)/C(=NC2=CC=CC3=C2C=CNC3=O)C(F)(F)F)Cl

DOS

IR

Vibrations